data_1wgp_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 1wgp _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 ' 13' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 81' ' ' PHE . 7.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -81.04 57.86 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.18 -47.67 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -83.55 -32.79 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.47 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 2.3 ttm -51.51 152.67 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.92 158.2 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.7 mt-10 -48.11 -54.94 11.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -49.66 -35.12 20.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 17' ' ' MET . 13.4 tp -74.38 -29.8 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 22' ' ' LEU . 4.3 mm? -68.9 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -48.8 -49.98 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.24 -52.65 58.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.13 -36.49 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 30.2 m -64.73 -49.02 72.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.95 -21.62 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -32.92 51.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.0 mt -41.71 127.93 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -112.54 152.81 44.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -155.57 155.63 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.49 153.65 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.55 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 25.2 m-85 -104.97 139.16 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -116.55 -171.48 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.41 136.15 57.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 70.68 35.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -105.71 115.09 29.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.58 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 11.7 m-85 -91.72 120.2 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD23 ' CD2' ' A' ' 58' ' ' LEU . 8.3 mp -85.46 -57.68 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.3 m -130.2 150.19 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NE ' ' HB3' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -129.78 128.7 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -70.64 125.61 27.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.18 -30.73 9.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.89 158.85 49.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 t -116.63 120.89 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.05 -42.59 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 154.01 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE2' ' CE1' ' A' ' 52' ' ' PHE . 3.9 ttt -99.9 150.06 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.55 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -119.21 119.54 34.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' CE1' ' HE2' ' A' ' 50' ' ' MET . 83.4 m-85 -97.15 104.75 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.27 118.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.91 -48.85 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.63 109.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.2 -156.43 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -139.43 160.57 39.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 0.789 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.8 mp -160.83 171.26 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 11.2 pt-20 -127.61 131.11 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.54 130.91 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 2.5 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -157.84 171.9 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 tp -123.56 153.88 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.1 mt -107.79 149.06 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.4 ptmt -83.7 -172.13 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 8.4 tp10 -79.39 136.39 36.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 9.28 75.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.68 130.17 39.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 13' ' ' LEU . 4.3 p90 -112.01 144.55 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.4 m -113.27 168.2 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.22 33.33 0.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -23.77 45.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.69 -30.57 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 119' ' ' ALA . 25.8 tp -58.96 -47.74 84.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 6.4 tp -47.56 -51.35 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.72 -42.82 85.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 57.4 t90 -46.51 -58.33 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.37 -40.35 77.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -14.21 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -118.69 97.03 50.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 -177.13 3.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -121.19 158.88 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.4 t -85.38 163.14 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 p -88.34 -29.17 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 174.5 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -102.71 113.66 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.09 149.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 9.1 ttpt -137.39 171.68 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.08 111.91 23.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -95.03 -25.1 16.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -135.22 165.01 26.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.61 113.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.03 152.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -129.14 107.11 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.45 174.93 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -111.11 172.9 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.59 20.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -145.97 122.05 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.7 tt -87.63 143.02 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.01 -49.9 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.91 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.63 -37.43 28.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.42 -69.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.521 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -42.63 -48.17 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.77 -61.56 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -63.99 -27.24 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.39 -60.29 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CA ' ' HB2' ' A' ' 17' ' ' MET . 21.9 m-85 -83.38 54.84 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -52.56 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -101.77 17.28 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.434 ' HB2' ' CA ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.23 140.06 38.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.7 m-20 -109.67 151.33 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -45.82 -45.28 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -33.96 62.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.3 tp -80.16 -28.49 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 3.9 mm? -68.6 -57.27 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.74 -53.56 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.63 -62.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.4 mt -54.11 -35.52 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 1.3 m -65.4 -44.39 87.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.5 -18.68 42.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 3.0 mpt_? -82.02 -34.98 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.0 mt -43.29 121.9 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 154.02 39.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.79 3.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.5 m -148.83 157.56 43.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -140.07 153.73 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 21.1 m-85 -106.57 111.59 24.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -91.58 -168.51 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.77 139.3 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt 68.98 26.88 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -102.5 117.69 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.19 126.53 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.94 -51.45 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.14 157.58 37.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 156.17 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.55 104.52 16.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.97 -27.18 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -89.82 156.28 47.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 100' ' ' PRO . 45.2 t -111.46 103.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -75.02 -45.1 44.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.84 150.61 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.468 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 13.7 ttt -95.29 141.78 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -109.53 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.66 101.37 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.11 115.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.9 mm -90.26 -43.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 119.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.49 -162.27 35.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -131.28 155.39 47.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mp -158.38 171.2 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 9.5 pt-20 -125.05 129.3 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -95.55 125.67 40.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.1 m -156.93 172.83 17.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.31 157.63 41.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.46 165.44 17.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -172.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 7.1 pt-20 -75.12 117.97 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.97 -19.36 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 135.04 34.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -113.65 170.03 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.9 m -127.9 164.7 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.85 50.95 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -72.64 -37.29 68.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.21 -35.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 47.3 tp -53.87 -47.79 70.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.4 tp -49.6 -54.77 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -64.13 -41.49 97.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.561 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 25.7 t90 -48.33 -54.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.478 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -61.57 -38.33 87.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.19 -4.73 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -128.63 88.91 50.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.02 171.24 18.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.9 t -121.22 142.79 49.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -62.71 161.79 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.2 p -98.47 -13.55 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -154.7 170.52 21.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 m -110.01 104.31 13.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.83 153.21 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -137.29 169.9 17.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.31 112.84 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -95.84 -27.17 15.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -137.11 169.38 17.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.73 122.47 14.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 t -125.78 132.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -103.14 118.49 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.06 175.23 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -117.45 165.79 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.71 168.8 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -155.17 119.34 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.418 HG23 ' CG ' ' A' ' 121' ' ' GLU . 7.6 tt -82.92 143.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.561 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.56 -50.47 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.419 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 5.6 mm-40 -46.34 -46.47 18.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 87' ' ' LEU . 1.4 tt -55.06 -53.42 56.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 0.5 OUTLIER -57.71 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -47.31 -60.25 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -31.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.38 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 81' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 7.2 m-85 -77.39 58.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -52.2 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -101.55 -14.49 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.2 113.13 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.59 154.51 39.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -47.39 -48.94 25.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -36.78 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 125' ' ' VAL . 9.0 tp -75.5 -37.46 60.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 14' ' ' PHE . 4.4 mm? -64.22 -55.72 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.46 -46.79 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.63 75.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.43 -29.24 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 99.2 m -69.17 -55.72 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.249 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 4.1 pt-20 -50.59 -28.4 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -69.35 -35.59 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 15.7 mt -39.97 126.33 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -105.94 154.26 39.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 18.1 Cg_endo -75.03 107.6 2.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' PRO . 61.6 m -150.68 158.37 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -142.69 151.95 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 19.8 m-85 -102.67 114.04 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.72 -168.32 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -71.96 144.0 49.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt 63.08 40.07 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -112.44 123.69 50.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.23 113.77 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 34' ' ' PHE . 9.6 mp -72.63 -58.85 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 151.44 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -92.21 105.54 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.92 -27.95 6.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 158.24 43.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.33 115.56 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.31 -42.57 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 152.67 41.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 117' ' ' LEU . 8.2 ttt -95.91 142.51 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -109.82 124.73 51.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -104.57 101.49 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.7 mm -60.75 119.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.2 mm -97.0 -48.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -168.12 145.06 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.22 -148.8 19.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.94 158.08 43.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 112' ' ' VAL . 3.8 mp -157.57 170.77 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 6.3 pt-20 -123.65 118.56 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -100.76 139.25 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.1 m -148.59 172.03 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tp -127.35 155.65 43.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.42 HD21 ' NH2' ' A' ' 104' ' ' ARG . 7.2 mt -124.96 158.72 32.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -137.07 178.85 6.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.18 127.72 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.23 -32.7 5.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.04 143.5 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -119.43 161.7 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.6 m -120.49 162.45 19.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.35 46.42 1.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.07 -36.19 82.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -41.38 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -52.02 -47.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' ASP . 2.4 tp -51.51 -56.72 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -63.42 -43.24 98.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 41.4 t90 -42.41 -63.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.509 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.09 -50.19 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -37.51 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -116.03 89.5 25.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.08 13.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.1 Cg_endo -75.0 168.93 23.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.95 128.08 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 162.61 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.0 p -111.82 -0.19 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.42 ' NH2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -163.13 147.12 11.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.7 m -97.52 148.32 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -136.95 144.14 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.82 156.48 44.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.65 117.32 34.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -99.32 -24.15 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -136.14 167.06 21.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.0 120.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 t -112.18 151.01 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.97 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.76 174.7 13.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -113.35 173.95 6.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.0 165.02 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -151.34 119.89 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 121' ' ' GLU . 7.4 tt -84.38 144.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.02 -50.42 66.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -67.52 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -49.2 -42.15 39.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -63.62 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.509 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -47.22 -50.37 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -48.89 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -62.86 -28.68 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.48 70.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 81' ' ' PHE . 53.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 19.0 m-85 -82.17 57.87 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -53.63 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.29 17.25 23.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.463 ' HE1' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -80.5 139.94 36.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' LEU . 49.8 m-20 -97.95 146.8 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.59 -40.06 5.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.24 -40.73 86.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 125' ' ' VAL . 10.0 tp -65.65 -39.32 91.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -65.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 26' ' ' CYS . 39.0 t0 -44.44 -61.96 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' CB ' HG22 ' A' ' 125' ' ' VAL . . . -42.42 -64.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CD1' ' HE1' ' A' ' 17' ' ' MET . 96.3 mt -51.62 -32.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.4 -65.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.33 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -45.24 -34.32 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mmt-85 -63.02 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 20.1 mt -38.07 119.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 153.42 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.3 m -148.64 160.83 42.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 150.85 41.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 22.6 m-85 -104.59 110.98 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -85.52 -168.97 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.39 139.93 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt 68.73 29.46 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.1 m -97.2 113.85 25.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.79 114.94 26.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.05 -59.45 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.71 150.1 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.57 128.24 42.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 107.58 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.22 -24.5 6.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.147 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -99.75 159.04 31.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.85 104.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -74.47 -46.17 41.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.9 149.99 46.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.473 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 13.9 ttt -95.53 145.49 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mm? -111.01 129.03 56.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.58 103.81 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mm -61.8 123.69 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.69 -45.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.69 117.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.04 -155.38 26.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 157.44 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.42 HD22 ' CG1' ' A' ' 106' ' ' VAL . 2.3 mp -158.1 171.56 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 8.5 pt-20 -120.9 117.69 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -95.52 132.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 mpt_? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 p -157.0 170.39 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.69 154.52 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.1 mt -112.94 164.32 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -122.87 -172.51 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.13 125.71 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.67 36.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 123.51 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 13' ' ' LEU . 13.0 p90 -104.37 163.45 12.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.3 m -125.3 167.07 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.355 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.23 55.91 2.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.28 -27.85 53.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.72 -21.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 35.4 tp -72.5 -46.17 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 3.4 tp -52.56 -48.04 66.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -39.95 77.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.538 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 50.5 t90 -47.08 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -50.21 -49.76 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.6 -29.84 27.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.27 111.72 57.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.03 8.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.5 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.457 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.02 164.31 33.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -121.16 125.18 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -70.09 143.42 52.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.3 p -103.89 24.85 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.45 151.94 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.3 m -116.44 136.59 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.42 ' CG1' HD22 ' A' ' 58' ' ' LEU . 51.6 t -135.05 154.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.167 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.56 157.78 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.96 113.17 26.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -96.24 -21.86 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 2.4 t -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.455 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.5 tt0 -68.19 113.03 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 138.52 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.88 109.95 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.41 174.97 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.469 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 53.0 m-85 -113.87 169.4 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.49 165.19 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -148.85 121.92 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tt -83.52 144.11 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.538 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.56 -50.18 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -39.98 -67.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.95 -44.73 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.62 -53.91 27.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -57.48 -51.93 67.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.26 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -51.37 -38.82 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -68.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 81' ' ' PHE . 44.5 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -80.53 57.73 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -51.15 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -88.53 -27.62 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.3 ttm -48.61 161.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.48 156.33 18.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -53.13 -52.66 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -45.89 -35.06 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tp -72.65 -38.35 67.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.4 mm? -62.13 -51.34 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.16 -52.5 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -58.73 -58.62 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.99 -33.01 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 14.7 m -71.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -28.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -70.93 -37.32 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.4 mt -38.2 119.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.97 152.3 38.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.778 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.7 m -148.76 160.64 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.43 153.4 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 30.5 m-85 -113.18 110.46 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -80.31 -168.23 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.85 140.87 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 3.8 mtmp? 70.78 30.08 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -97.01 120.86 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -102.48 105.31 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.45 -58.76 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 m -134.99 154.13 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.21 167.28 20.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.64 103.43 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.91 -34.06 4.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -78.57 153.12 78.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' PRO . 44.0 t -117.33 103.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.87 -45.63 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.54 149.57 42.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -95.84 148.38 22.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.561 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -117.07 117.55 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 64.7 m-85 -94.11 101.78 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.9 mm -57.92 120.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -98.79 -54.61 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.84 127.7 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.15 -149.74 20.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.19 146.67 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 4.4 mp -147.34 171.5 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 11.1 pt-20 -125.23 124.53 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -97.85 132.49 43.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 p -154.02 173.79 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -134.97 154.95 51.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.7 mt -119.25 158.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -172.14 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -71.01 121.85 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.4 -30.57 4.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.07 140.36 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.738 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.3 -174.62 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.36 163.53 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.86 40.31 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 0.3 OUTLIER -58.57 -40.24 82.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -44.67 -25.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 119' ' ' ALA . 17.4 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -49.22 -50.25 39.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -40.15 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 34.4 t90 -51.57 -54.17 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -64.61 -31.83 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 3.39 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -133.95 97.34 15.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.74 9.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 163.63 34.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -120.38 130.69 54.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -65.91 159.78 24.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 p -116.25 31.86 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.8 152.09 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 94.7 m -109.14 153.47 23.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.2 t -153.32 151.43 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -144.34 146.09 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -88.14 112.84 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -94.35 -22.17 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.406 ' HG1' ' N ' ' A' ' 111' ' ' GLU . 1.7 t -138.18 169.37 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' N ' ' HG1' ' A' ' 110' ' ' THR . 21.0 tt0 -55.17 112.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG1' HD12 ' A' ' 58' ' ' LEU . 13.5 t -106.94 142.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -124.27 110.92 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.4 174.9 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -110.38 166.08 11.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.2 156.2 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -141.75 120.04 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.1 tt -85.18 143.27 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.09 -51.7 65.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -40.11 -69.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.6 -34.06 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -41.85 -45.67 3.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.29 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.73 -39.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -52.55 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 22.1 m-85 -82.61 54.77 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -52.53 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -104.31 13.82 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mtp -94.28 118.26 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -62.84 157.59 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.83 -47.19 80.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -49.7 -29.84 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.52 -36.12 65.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 14' ' ' PHE . 4.5 mm? -62.93 -61.87 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.62 -45.35 63.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.78 -56.8 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mt -62.7 -22.97 31.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 t -75.56 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.76 -26.26 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 1.6 mmt85 -71.52 -38.97 71.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 115' ' ' PHE . 18.8 mt -37.82 123.33 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -103.57 149.02 36.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 p -148.87 168.79 22.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.54 163.99 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 43.0 m-85 -124.9 112.68 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.502 ' N ' ' HG ' ' A' ' 38' ' ' SER . 1.2 p -79.13 -168.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.83 144.9 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 68.42 29.71 5.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.502 ' HG ' ' N ' ' A' ' 35' ' ' THR . 57.5 m -96.38 117.46 30.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 5.3 m-85 -99.02 104.38 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.39 -55.23 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.3 154.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -128.1 165.11 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.91 100.12 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.07 -30.16 5.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 15.7 p-10 -81.56 155.37 71.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 100' ' ' PRO . 22.5 t -120.0 101.74 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -46.83 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.45 153.07 50.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.3 ttt -97.71 145.81 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -112.05 130.16 55.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -111.56 101.44 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 58' ' ' LEU . 16.9 mm -55.3 125.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.8 mm -100.76 -44.7 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.11 98.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.08 -149.08 6.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -150.03 159.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.753 . . . . 0.0 110.277 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.4 mp -162.35 171.99 16.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 7.6 pt-20 -119.09 126.79 52.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -101.53 127.06 48.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.8 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -161.34 169.84 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.45 154.66 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 mt -121.6 156.73 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -136.96 -179.21 5.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 125.21 18.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.79 -30.47 5.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.71 142.56 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -115.97 174.4 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.1 m -134.56 161.91 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 108.266 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.43 56.72 2.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.87 -29.77 44.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -45.74 -26.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.487 HD12 ' CE3' ' A' ' 89' ' ' TRP . 28.1 tp -65.57 -54.66 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 10.3 tp -42.76 -54.56 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.19 -44.02 93.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.577 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 45.2 t90 -47.62 -62.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -54.52 -47.77 72.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -27.61 33.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.93 112.64 62.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -29.69 7.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 159.14 41.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -120.6 125.76 48.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -67.41 153.2 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -107.17 24.64 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.29 153.13 15.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 m -109.01 155.0 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.43 ' CG1' ' CD2' ' A' ' 58' ' ' LEU . 32.6 t -153.31 145.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.64 146.75 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -85.29 111.02 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.45 -26.97 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.5 t -134.85 155.91 49.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -40.23 112.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 110' ' ' THR . 2.7 t -103.94 142.46 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -128.49 107.64 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.36 174.79 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.462 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 m-85 -111.12 161.31 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.83 160.03 14.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -143.74 119.8 10.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.3 tt -82.12 142.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.577 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.85 -46.02 83.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 5.5 mm-40 -50.76 -34.42 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.61 -69.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 1.7 ttpp -40.68 -47.62 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.35 -67.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.3 -32.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.28 -23.81 62.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 38.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.514 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 37.6 m-85 -83.25 56.14 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.49 -53.36 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -87.85 -22.0 24.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.514 ' CG ' ' HA ' ' A' ' 14' ' ' PHE . 6.9 mmm -47.7 156.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.77 147.54 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.3 tt0 -47.7 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -45.93 -28.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 7.5 tp -64.31 -42.19 96.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.2 mm? -55.93 -51.32 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.5 -42.37 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 53.8 mt -57.97 -29.98 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 5.2 m -69.25 -53.89 17.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.67 -22.46 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.36 -33.65 58.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 17.7 mt -44.73 121.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -106.92 153.63 40.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.0 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 31' ' ' PRO . 59.8 m -150.43 158.82 44.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -141.12 154.2 45.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 48.0 m-85 -113.15 110.93 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 38' ' ' SER . 1.1 p -79.78 -169.14 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.29 143.36 57.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt 65.52 38.15 5.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.471 ' HG ' ' N ' ' A' ' 35' ' ' THR . 9.7 m -103.56 120.08 40.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -97.47 113.63 25.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.23 -56.16 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.44 153.41 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 160.07 38.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.5 106.08 18.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.23 -35.35 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -83.22 153.62 66.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 t -119.59 107.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.32 -45.27 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.461 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -95.95 148.11 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -114.94 121.24 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 71.7 m-85 -99.42 102.08 13.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.01 123.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.9 -51.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.79 124.48 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.11 -169.45 30.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -129.25 153.7 47.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 HD22 ' CG1' ' A' ' 106' ' ' VAL . 2.7 mp -155.61 171.89 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 8.0 pt-20 -123.56 133.89 53.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.9 t -110.23 135.03 51.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 73' ' ' ARG . 2.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -159.41 173.39 16.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tp -124.15 144.44 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.3 mt -107.87 110.88 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -77.05 166.48 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.48 121.6 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.25 -37.94 2.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -69.24 163.0 25.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -133.07 177.68 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 56.5 m -130.69 167.87 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.92 39.41 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -63.0 -25.41 68.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -48.95 -38.21 22.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 52.6 tp -50.34 -41.98 52.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -50.28 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -37.85 88.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.673 ' CZ3' ' CG ' ' A' ' 123' ' ' LYS . 42.9 t90 -48.64 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.69 -48.82 63.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -23.54 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.55 106.31 55.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -28.05 9.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 163.03 36.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -119.8 127.13 52.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -77.14 122.63 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 t -87.01 44.29 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.6 152.21 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.9 m -117.96 137.59 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.444 ' CG1' HD22 ' A' ' 58' ' ' LEU . 49.7 t -134.19 152.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -144.36 156.43 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.91 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -83.34 -24.75 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.7 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.59 133.83 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.48 158.03 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.38 116.0 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.24 174.88 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -109.85 175.02 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 151.34 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -136.53 123.17 21.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.9 tt -85.74 144.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.69 -48.03 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 28' ' ' ARG . 3.8 mm-40 -48.65 -29.91 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -68.01 -69.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.673 ' CG ' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -41.08 -48.43 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -54.22 -69.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -29.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.33 -38.25 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' A' ' 81' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' A' ' 22' ' ' LEU . 20.1 m-85 -88.23 50.75 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.9 -53.36 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -97.08 15.1 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 25' ' ' ILE . 89.9 mtp -100.94 137.57 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.8 158.15 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.4 mt-10 -56.78 -47.49 80.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -49.88 -25.77 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.76 -34.76 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 14' ' ' PHE . 1.5 mm? -59.34 -52.5 65.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.05 -53.76 44.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 125' ' ' VAL . . . -48.08 -52.06 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' CE ' ' A' ' 17' ' ' MET . 67.2 mt -67.66 -30.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' LEU . 42.7 t -67.48 -66.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -28.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -67.85 -42.22 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' CYS . 15.8 mt -39.45 118.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 152.16 39.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.3 m -141.74 163.13 33.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.11 149.35 38.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 12.3 m-85 -116.77 134.38 54.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -115.55 -168.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.91 141.52 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? 68.97 38.35 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -113.08 120.98 43.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 29.2 m-85 -99.28 119.29 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 9.5 mp -82.78 -59.08 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.38 157.2 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -126.91 160.91 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 118.25 32.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.94 -30.89 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 12.2 p-10 -87.66 157.3 52.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.8 17.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.07 112.99 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -84.28 -43.29 14.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -141.72 147.03 36.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.503 ' HG2' ' CE1' ' A' ' 52' ' ' PHE . 17.3 ttt -96.36 142.73 28.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 116' ' ' ALA . 1.3 mm? -110.13 136.67 48.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 8.5 m-85 -112.64 101.01 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 mm -53.34 124.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 14.6 mm -98.81 -49.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -171.25 137.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.81 -161.09 25.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.165 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.4 ' NE ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -128.83 163.35 25.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.55 171.43 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 5.2 pt-20 -118.7 121.17 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.7 t -96.82 132.7 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 m -151.19 174.11 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' A' ' 57' ' ' ARG . 3.2 tp -131.27 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -118.87 158.15 26.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -131.14 -172.14 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 2.8 mt-10 -66.12 120.43 13.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.2 4.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 140.49 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CE2' HD12 ' A' ' 13' ' ' LEU . 1.1 p90 -117.42 167.01 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -124.24 165.8 16.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.16 32.43 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -62.37 -29.87 70.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.75 -34.68 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 19.6 tp -59.27 -55.6 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.1 tp -43.74 -48.87 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -70.13 -44.56 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.652 ' CH2' ' CD ' ' A' ' 123' ' ' LYS . 43.4 t90 -42.74 -66.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 107.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -48.71 -48.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.42 -26.74 61.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' THR . 15.3 t0 -88.37 117.17 68.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.17 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.0 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -121.35 140.62 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -63.57 163.45 11.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.2 p -94.96 -33.76 12.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 153.0 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 40.2 m -86.13 114.27 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -107.15 148.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 2.8 ttpt -139.03 161.0 38.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.21 120.08 41.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -102.75 -27.87 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 t -129.45 156.04 44.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -42.82 133.1 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.12 165.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.64 124.6 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.27 175.25 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.12 163.98 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -105.26 160.54 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -150.41 119.78 6.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.416 HG22 ' CG ' ' A' ' 121' ' ' GLU . 9.5 tt -83.62 146.37 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . . . -68.18 -51.88 40.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -39.89 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.416 ' CG ' HG22 ' A' ' 118' ' ' ILE . 5.5 mm-40 -47.83 -29.56 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -66.49 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.652 ' CD ' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -44.01 -45.28 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.49 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.44 -29.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 9.9 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -76.44 54.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -53.45 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -81.04 -21.6 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.404 ' CE ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -51.2 153.22 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 m-20 -110.12 154.15 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.91 -52.95 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -31.37 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.5 tp -77.35 -33.1 55.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.0 mm? -61.94 -51.24 68.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 34.2 t0 -63.64 -57.84 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.97 -60.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.79 -36.98 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -59.29 -55.6 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.84 -23.47 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HD2' ' CG2' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -74.34 -41.67 60.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.4 mt -42.69 119.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.92 149.91 36.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 94.17 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.6 161.11 30.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.09 148.83 39.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 37.6 m-85 -109.37 112.25 24.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -82.9 -168.59 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.46 140.2 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 67.46 36.43 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 m -103.89 117.21 33.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 37.1 m-85 -93.04 117.77 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.73 -56.16 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.35 154.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.44 145.14 46.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -82.63 118.55 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 -35.83 3.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.5 156.29 35.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.28 16.68 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -110.57 106.71 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.99 -45.39 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.25 152.48 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' LEU . 8.0 ttt -99.08 144.27 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 mm? -111.89 127.61 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -108.66 103.09 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.99 125.33 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.58 -51.11 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.36 108.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.96 -155.68 24.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -143.05 157.29 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 112' ' ' VAL . 2.3 mp -157.59 171.79 19.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 10.7 pt-20 -124.22 136.91 54.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.09 126.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -164.13 173.48 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.57 155.84 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.73 166.0 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -95.03 -172.64 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -84.78 115.52 22.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.48 6.17 21.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.28 134.6 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -115.66 147.47 40.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 78.8 m -117.65 175.07 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.35 36.95 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -24.57 67.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.75 -28.92 52.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 26.1 tp -57.68 -55.71 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 5.3 tp -44.46 -48.1 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 42.1 t90 -43.39 -59.05 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.26 -54.75 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.404 HD23 ' CE ' ' A' ' 17' ' ' MET . 0.9 OUTLIER -51.9 -21.63 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -101.47 107.81 52.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.65 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.72 2.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -121.5 146.75 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.2 p -70.62 163.25 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 p -91.42 -41.82 10.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.42 163.62 39.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 m -86.1 106.45 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 107' ' ' LYS . 24.7 t -105.47 144.31 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 7.3 ttpt -132.31 165.0 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.64 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -95.88 -27.43 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.5 t -135.1 158.83 43.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -44.19 118.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 58' ' ' LEU . 12.7 t -109.51 145.2 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.35 105.75 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.16 174.95 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -111.52 171.65 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.28 166.27 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -151.03 123.85 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 28' ' ' ARG . 7.8 tt -87.9 143.7 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.498 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.5 -49.24 69.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.406 ' HG3' ' NE ' ' A' ' 28' ' ' ARG . 16.9 mm-40 -48.71 -37.73 19.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -61.11 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.7 ttpp -50.89 -46.41 60.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.24 -29.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -56.54 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD13 ' CG ' ' A' ' 81' ' ' PHE . 63.7 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -82.66 58.12 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -52.63 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -86.77 -17.02 34.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.58 154.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -110.22 156.32 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.95 -50.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -58.44 -29.39 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.01 -32.59 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' CYS . 4.4 mm? -65.49 -55.32 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -42.46 91.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.9 -32.4 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 21.7 m -68.13 -65.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.15 -28.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 6.3 mmt85 -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 117' ' ' LEU . 18.0 mt -37.29 130.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -107.1 151.79 40.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.1 m -150.06 157.54 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.21 150.16 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 27.8 m-85 -108.08 112.6 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -82.48 -168.52 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.73 141.92 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 67.47 34.55 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 m -95.98 119.59 34.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.26 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.32 -56.98 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.3 m -134.32 154.07 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 1.6 mtm180 -135.36 138.92 43.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 125.25 25.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.69 -33.79 6.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -89.48 148.23 39.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.85 15.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.0 t -109.13 120.64 60.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.34 -40.64 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -142.65 149.92 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.535 ' HE3' ' CE1' ' A' ' 52' ' ' PHE . 5.7 ttt -97.39 144.87 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -115.15 117.57 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CE1' ' HE3' ' A' ' 50' ' ' MET . 79.5 m-85 -93.91 106.0 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.416 HD12 ' CD1' ' A' ' 58' ' ' LEU . 9.0 mm -60.73 121.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mm -99.83 -46.92 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.06 106.71 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.17 -168.5 41.05 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -133.69 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 53' ' ' ILE . 2.5 mp -155.87 171.41 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 10.8 pt-20 -122.45 131.22 53.77 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 130.39 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.427 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 5.9 mtp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -158.57 172.32 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.72 157.02 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -114.07 170.01 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -118.67 -173.86 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.57 127.42 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.75 33.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 174.75 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CG ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -155.98 142.91 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.4 m -107.85 158.91 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.18 50.68 3.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -69.91 -33.85 72.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.43 -26.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' A' ' 89' ' ' TRP . 37.8 tp -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 9.2 tp -52.16 -50.86 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.37 -41.08 81.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 40.2 t90 -45.37 -56.43 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.83 -51.68 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.21 -34.23 44.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 8.0 m-20 -75.98 126.34 87.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.51 2.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.433 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.5 Cg_endo -74.95 -169.05 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.55 146.43 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.6 p -69.91 163.7 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -89.72 -42.51 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.15 168.99 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.6 m -87.69 104.94 17.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 107' ' ' LYS . 40.1 t -106.96 144.85 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' HG11 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -139.86 144.23 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.99 114.66 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -97.27 -25.71 15.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.6 t -134.62 158.81 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -41.81 122.77 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 110' ' ' THR . 3.4 t -117.74 149.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -134.25 109.08 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.48 175.11 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.418 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m-85 -111.97 162.5 15.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -103.83 156.08 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -143.58 121.57 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.6 tt -84.16 143.12 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.08 -48.78 74.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -66.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -54.44 -35.56 63.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 123' ' ' LYS . 1.6 tt -63.44 -67.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.473 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -38.96 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -46.0 -68.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -28.14 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.39 -60.03 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 81' ' ' PHE . 24.6 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.13 55.94 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.57 -53.18 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -81.26 -32.17 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.445 ' SD ' ' CD1' ' A' ' 25' ' ' ILE . 2.0 mtm -51.5 142.15 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.1 m-20 -105.46 158.09 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.99 -55.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -47.43 -42.45 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' ASP . 12.9 tp -67.43 -35.21 78.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.6 mm? -65.08 -60.39 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -49.95 -46.81 52.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.04 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 65.1 mt -52.42 -26.17 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 20.2 m -76.33 -60.52 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.0 -25.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -73.7 -35.36 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 18.8 mt -38.95 126.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 152.37 39.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 18.2 Cg_endo -75.06 107.24 2.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 31' ' ' PRO . 46.6 m -150.64 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.35 154.96 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 16.3 m-85 -107.97 111.06 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.58 -170.76 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.89 137.86 58.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt 69.58 25.93 5.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -91.98 114.32 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 32.4 m-85 -90.84 113.39 25.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.14 -51.14 11.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.3 m -141.31 154.66 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -131.13 140.24 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -78.51 110.27 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.62 -34.53 3.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 28.7 p-10 -87.42 158.15 52.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.02 23.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -108.61 117.2 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -89.49 -42.71 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 151.32 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.536 ' HE3' ' CE1' ' A' ' 52' ' ' PHE . 8.5 ttt -97.54 142.65 29.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.596 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -112.66 119.01 36.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.536 ' CE1' ' HE3' ' A' ' 50' ' ' MET . 80.1 m-85 -94.79 102.83 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -59.78 118.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mm -98.27 -48.54 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.98 144.95 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.33 -155.6 21.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 157.99 44.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 112' ' ' VAL . 3.1 mp -155.79 169.41 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.53 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 5.6 pt-20 -112.51 112.96 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.1 p -98.1 128.41 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -154.2 172.99 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.01 145.24 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.8 mt -101.66 158.51 16.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -120.37 179.82 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 125.46 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.08 -28.03 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.25 138.99 44.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -118.13 153.77 33.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.57 163.75 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.17 48.96 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -66.32 -39.03 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' ASP . 14.7 mm-40 -38.27 -33.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 24.7 tp -55.48 -57.42 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.1 tp -43.04 -51.93 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 40.8 t90 -45.71 -62.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -49.91 -38.83 37.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -29.77 69.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -92.51 114.42 62.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -172.78 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.5 p -121.35 138.24 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 42' ' ' ARG . 24.6 p -58.36 163.19 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 p -88.91 -38.5 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.03 173.04 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -93.94 102.52 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 107' ' ' LYS . 43.0 t -102.85 138.92 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.5 ttpt -135.25 145.56 47.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.41 128.08 36.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -112.0 -27.38 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.7 t -128.28 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -47.41 115.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 58' ' ' LEU . 18.8 t -108.1 154.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -136.32 107.99 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.51 174.73 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.5 166.29 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.57 168.39 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -157.97 119.94 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.46 143.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -62.67 -50.28 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 7.7 mm-40 -51.56 -36.29 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 126' ' ' ALA . 1.1 tt -61.72 -65.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 3.2 ttpp -48.12 -45.16 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -52.35 -62.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.86 -29.09 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 122' ' ' LEU . . . -67.91 -31.12 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 30.6 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.81 56.19 1.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.96 -52.12 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -88.75 -27.73 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.465 ' CG ' HD21 ' A' ' 21' ' ' LEU . 2.5 ttm -53.37 135.58 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -44.25 -53.94 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 mmm-85 -47.52 -36.65 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 17' ' ' MET . 12.1 tp -75.54 -31.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 3.9 mm? -64.45 -51.41 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -60.3 -55.76 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB1' ' CG2' ' A' ' 125' ' ' VAL . . . -49.57 -43.0 45.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -44.71 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -57.21 -50.48 72.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -25.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.93 -44.49 31.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ARG . 38.7 mt -38.65 104.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 158.46 43.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.373 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 109.31 2.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.1 m -147.43 153.32 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 151.18 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 49.6 m-85 -113.69 139.62 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -116.38 -173.18 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 137.74 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 107' ' ' LYS . 4.8 mtmp? 69.89 40.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -113.93 126.87 55.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 20.0 m-85 -102.45 120.2 40.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 8.8 mp -85.78 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.14 153.99 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 125.5 42.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.01 128.5 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.67 -39.44 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -80.17 159.34 70.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.52 31.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.98 125.29 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -91.43 -38.75 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.05 149.52 38.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -95.9 143.07 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.2 127.32 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 32.0 m-85 -104.7 101.88 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.03 117.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mm -93.52 -55.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.64 128.84 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.31 -173.97 23.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 161.4 23.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -153.66 171.65 18.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 5.8 pt-20 -117.32 119.4 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 t -98.55 130.63 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -146.05 172.59 13.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 14.6 tp -129.51 157.68 41.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.426 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 4.6 mt -133.12 159.07 41.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -133.64 -179.69 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.85 124.76 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.18 -41.61 1.81 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.14 146.33 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -119.55 176.95 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.1 m -131.36 160.14 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.92 27.59 1.04 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -50.65 -36.94 37.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -45.28 -26.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 49.2 tp -66.0 -43.64 87.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.0 tp -54.94 -52.71 62.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.74 -38.35 86.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.18 . . . . 0.0 110.418 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.602 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 35.6 t90 -46.06 -64.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 107.955 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 123' ' ' LYS . . . -51.36 -53.77 33.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -27.06 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 14.0 t70 -87.55 117.72 68.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.04 5.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.05 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -121.73 155.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 t -82.23 163.76 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -87.15 -38.07 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 159.82 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.7 m -83.75 104.9 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 107' ' ' LYS . 43.8 t -100.52 145.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 4.7 ttpt -135.12 164.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.47 117.81 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -103.08 -26.09 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -134.02 156.61 47.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -41.78 114.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.5 151.9 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.23 118.39 20.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.249 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.69 175.1 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.71 173.85 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.32 161.03 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -154.16 119.41 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.9 tt -82.76 144.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.602 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -68.68 -49.75 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -39.79 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 -46.74 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -52.3 -59.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -49.93 -53.48 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -51.82 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.412 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.92 -31.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' LEU . . . -68.26 -49.17 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 81' ' ' PHE . 27.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' CE2' ' A' ' 52' ' ' PHE . 70.9 m-85 -79.55 55.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -52.95 6.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -72.35 -31.86 65.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.434 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.69 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -109.77 157.18 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.49 -59.17 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -51.63 -33.67 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 125' ' ' VAL . 6.7 tp -72.11 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 4.6 mm? -64.7 -61.72 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -52.01 -44.39 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' CG2' ' A' ' 125' ' ' VAL . . . -54.83 -52.4 62.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.37 -21.89 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -74.14 -53.94 8.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 1.8 pt-20 -54.69 -25.93 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -70.7 -33.76 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.7 mt -40.3 116.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -94.11 140.15 22.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.468 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.03 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 m -151.15 168.35 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.68 165.52 27.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 31.0 m-85 -127.26 112.44 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -81.4 -168.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.43 143.26 50.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 66.78 37.66 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -106.29 114.96 29.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.7 m-85 -91.7 107.28 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.76 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.25 157.58 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 4.0 mtp180 -134.63 171.21 14.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -99.98 108.06 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.28 -19.16 8.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 19.7 p-10 -99.55 152.38 37.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 170.63 19.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' PRO . 15.2 t -112.47 109.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.79 -44.97 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.7 151.14 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 117' ' ' LEU . 6.4 ttt -98.54 145.68 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -113.19 124.73 53.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.406 ' CE2' ' CZ ' ' A' ' 14' ' ' PHE . 81.6 m-85 -105.48 101.3 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.18 123.37 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.8 mm -100.92 -47.79 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.21 103.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.21 -166.6 38.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -132.41 157.96 43.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' A' ' 112' ' ' VAL . 3.8 mp -159.39 171.21 20.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 9.3 pt-20 -124.63 120.95 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.3 t -96.31 128.97 43.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 3.3 t -157.85 173.76 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' OG ' ' A' ' 74' ' ' SER . 6.0 tp -125.2 149.39 48.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.4 mt -112.63 114.65 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -174.67 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.75 120.62 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.41 -26.07 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.85 157.47 35.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.542 ' CE2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.32 176.65 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.44 164.49 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.85 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -12.06 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.46 -33.95 70.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 119' ' ' ALA . 26.6 tp -54.67 -57.18 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.7 tp -42.34 -51.58 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.17 -42.78 88.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.472 ' CB ' ' HG3' ' A' ' 100' ' ' PRO . 48.2 t90 -49.28 -56.62 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.021 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.87 -58.63 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -23.65 13.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -73.58 115.43 41.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.89 5.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.8 p -120.77 133.94 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.422 HG23 ' NE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -108.42 -13.5 14.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.422 ' NE ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -156.51 160.97 40.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m -99.84 113.29 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.401 ' CG1' HD21 ' A' ' 58' ' ' LEU . 41.7 t -107.57 152.14 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -147.08 150.1 34.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 112' ' ' VAL . . . -91.01 111.92 23.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.49 -27.62 15.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 1.2 t -133.17 164.0 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.51 119.83 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 58' ' ' LEU . 2.5 t -112.28 154.25 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.01 106.46 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.433 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.34 175.17 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.31 166.39 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.87 160.86 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -146.07 122.47 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.463 HG23 ' CG ' ' A' ' 121' ' ' GLU . 8.3 tt -84.85 143.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.451 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -66.09 -49.86 66.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.15 -66.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.463 ' CG ' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -51.96 -38.15 55.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.28 -69.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -45.18 -48.08 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -51.1 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -57.43 -35.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 81' ' ' PHE . 35.3 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -77.95 56.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -49.36 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -82.98 -32.67 26.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 2.6 mtm -51.61 145.75 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.13 158.03 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -45.31 -57.71 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.9 -34.23 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 17' ' ' MET . 9.4 tp -76.5 -30.96 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.9 mm? -65.24 -57.12 9.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.78 -50.38 70.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.5 -52.18 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.72 -42.75 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 6.8 t -53.06 -51.39 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -25.64 15.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HD2' ' CG2' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -72.75 -39.98 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.3 mt -43.49 114.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.65 154.69 37.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.45 163.48 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.65 165.18 28.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 34.8 m-85 -119.69 111.05 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -87.34 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 141.92 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 71.62 14.13 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -90.73 113.62 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 21.9 m-85 -94.7 124.93 39.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.0 -55.42 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.34 150.57 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.48 165.15 22.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 123.67 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.58 -36.42 4.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -87.8 152.41 51.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.57 118.1 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -88.94 -41.33 12.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.77 153.86 46.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.47 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 16.1 ttt -106.02 140.45 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.3 mm? -110.74 130.58 55.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 8.1 m-85 -106.82 101.18 10.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.36 121.41 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 12.2 mm -97.85 -43.92 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -173.62 104.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.44 -159.24 24.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.49 157.06 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' A' ' 106' ' ' VAL . 2.5 mp -160.12 171.87 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 12.7 pt-20 -125.09 129.67 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -98.75 136.77 38.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -157.12 173.61 16.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tp -130.37 154.19 47.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.54 166.71 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -132.0 -171.98 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 123.63 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.34 -41.71 1.64 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.99 143.17 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.65 165.08 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.58 159.95 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.02 47.99 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -32.78 73.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -38.12 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 35.0 tp -53.85 -48.34 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 7.1 tp -50.14 -46.5 53.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -72.51 -38.51 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.502 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 35.1 t90 -48.11 -58.35 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -60.14 -44.65 94.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -14.56 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -106.61 109.81 63.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.57 7.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 176.09 10.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.28 143.72 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 163.64 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -92.78 -33.19 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -152.8 164.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.7 m -93.15 112.09 23.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' A' ' 58' ' ' LEU . 28.1 t -111.49 143.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 4.7 ttpt -132.0 164.21 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.07 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -99.25 -23.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.7 t -135.59 155.09 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.98 121.52 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD12 ' A' ' 58' ' ' LEU . 3.1 t -114.3 152.33 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -132.53 106.38 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.447 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.36 174.89 13.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.56 173.88 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -108.77 168.38 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.425 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.4 121.03 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 28' ' ' ARG . 7.2 tt -85.76 143.11 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.502 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.4 -48.62 77.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.9 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.407 ' HG3' ' NE ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -48.11 -33.99 9.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.69 -69.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 3.3 ttpp -44.47 -43.99 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.47 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.463 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -60.55 -25.8 35.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 125' ' ' VAL . . . -74.04 -38.6 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 7.1 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -76.35 57.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -43.81 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.37 -27.82 38.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.442 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -47.29 157.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.58 156.99 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.02 -56.64 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -51.29 -33.08 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' CD1' HG12 ' A' ' 125' ' ' VAL . 7.9 tp -77.47 -31.15 53.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -65.64 -57.32 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.59 -49.49 74.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.25 -64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -53.16 -33.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.2 m -64.92 -60.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -32.92 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.65 -40.02 93.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.9 mt -40.66 121.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.36 148.8 35.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.56 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -155.64 164.47 38.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.01 152.95 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.8 m-85 -102.63 119.34 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -95.23 -169.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.09 141.01 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? 69.07 30.22 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -105.47 114.17 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 14.5 m-85 -93.61 120.73 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.52 -51.36 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.0 m -142.2 149.38 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -130.16 160.19 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 105.23 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.34 -29.88 5.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.77 156.75 61.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.366 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.88 103.1 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.84 -47.04 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.35 153.98 43.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -96.54 149.23 22.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.2 mm? -118.9 118.2 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.12 108.12 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 mm -63.36 120.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.1 mm -100.58 -48.44 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.68 131.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.01 -148.26 18.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.36 145.36 29.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD11 ' CG1' ' A' ' 112' ' ' VAL . 3.7 mp -147.74 170.48 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 7.5 pt-20 -121.87 119.13 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 104' ' ' ARG . 96.7 p -98.63 136.63 38.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -144.97 173.17 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.16 157.28 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -124.47 170.82 10.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -127.42 -171.93 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.36 121.73 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.53 -25.52 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.43 139.56 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.693 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -115.82 170.23 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -120.42 156.6 31.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 108.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.31 53.58 2.74 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.9 p-10 -67.39 -19.78 65.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.68 -38.51 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 51.3 tp -50.19 -46.57 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -51.62 -50.06 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.07 -40.87 82.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.499 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 42.0 t90 -45.75 -56.95 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.77 -50.16 71.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -25.92 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -90.59 114.04 59.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.37 134.98 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -75.21 154.9 37.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.07 -11.28 14.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 105' ' ' THR . 3.7 ttm180 -116.91 147.07 42.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 22.3 m -115.33 103.95 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -105.83 155.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -141.61 161.66 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.37 114.85 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.95 -23.86 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 t -136.38 165.86 24.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -54.14 114.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 58' ' ' LEU . 13.7 t -107.0 144.19 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.86 108.38 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.7 174.91 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.95 163.88 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.41 165.07 11.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.87 119.39 6.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.422 HG23 ' CG ' ' A' ' 121' ' ' GLU . 7.6 tt -81.6 143.81 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.499 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.64 -49.4 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.52 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.422 ' CG ' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -47.16 -31.43 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.08 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 3.2 ttpp -44.31 -47.59 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.92 -64.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.14 -27.8 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.31 -58.14 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.937 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -81.83 53.16 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -53.0 6.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -86.12 -17.11 35.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.96 153.13 3.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -109.94 151.51 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.83 -50.02 5.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -55.21 -36.49 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.3 tp -70.92 -35.27 72.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.3 mm? -61.46 -58.37 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -54.46 -53.81 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.77 -68.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.4 mt -48.85 -30.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.14 -59.17 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -45.76 -30.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 9.5 mmp_? -66.22 -41.49 90.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' ARG . 16.9 mt -39.53 111.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 151.47 37.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.24 2.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.9 m -145.62 163.93 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.87 164.56 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 39.2 m-85 -124.9 110.06 13.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -76.86 -168.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -71.22 146.99 48.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 62.21 33.91 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -106.05 113.8 27.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.19 119.41 31.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.41 -58.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.58 146.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.96 176.8 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 108.27 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -22.12 10.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -91.07 152.43 44.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.74 30.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.38 105.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -78.78 -44.76 22.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.64 150.7 45.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 84' ' ' ASP . 12.1 ttt -95.61 138.55 33.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mm? -106.72 131.48 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -113.33 101.44 9.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.442 HD13 ' CD1' ' A' ' 58' ' ' LEU . 17.6 mm -53.98 120.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -99.31 -50.14 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.04 99.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.74 -154.55 12.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -146.32 159.6 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.7 mp -160.55 170.06 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 60' ' ' SER . 0.7 OUTLIER -118.12 116.58 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 5.1 p -105.89 145.64 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.4 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 6.6 mpt_? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 t -144.14 174.05 11.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -134.44 147.14 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.38 122.3 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -96.1 -172.17 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -66.55 126.84 30.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.43 -34.3 4.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.2 156.06 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.06 166.95 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 42.08 44.33 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -69.68 -32.97 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -46.16 -32.93 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 31.0 tp -56.46 -50.64 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tp -48.5 -48.47 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -39.06 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 43.4 t90 -52.26 -52.48 52.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -63.33 -48.44 77.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -37.77 57.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.64 71.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.1 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 169.25 23.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -120.6 127.78 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 p -76.9 130.23 37.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 103' ' ' THR . 1.1 t -93.22 51.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 151.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 43.7 m -116.22 132.15 56.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.4 t -131.6 151.37 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -143.29 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.66 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -102.83 -22.31 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' GLU . 6.9 t -135.56 152.18 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' THR . 5.7 tt0 -38.31 116.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' A' ' 58' ' ' LEU . 5.1 t -105.02 154.56 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.0 107.16 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.2 174.91 13.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -108.21 169.98 8.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 168.55 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -156.83 119.95 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.408 HG23 ' CG ' ' A' ' 121' ' ' GLU . 8.0 tt -83.9 143.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -51.28 62.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.439 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 6.7 mm-40 -48.35 -40.48 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -61.76 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 1.7 ttpp -50.31 -48.32 55.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -51.66 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -29.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.99 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD12 ' CG ' ' A' ' 81' ' ' PHE . 65.1 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 87' ' ' LEU . 29.4 m-85 -83.01 53.23 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 -52.61 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -78.51 -16.8 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 146.79 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.51 157.54 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -45.53 -54.56 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -54.17 -30.5 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.44 HD12 ' CG2' ' A' ' 125' ' ' VAL . 3.3 tp -74.03 -35.82 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.6 mm? -61.19 -47.95 83.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.38 -53.22 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 27' ' ' GLU . . . -51.14 -58.83 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.64 -28.48 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.21 -62.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -47.44 -25.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -70.52 -35.35 73.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 18.6 mt -40.69 115.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 153.07 37.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.16 155.75 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.38 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 17.1 m-85 -119.17 123.54 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.7 -175.69 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.82 135.28 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt 71.04 35.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' A' ' 108' ' ' ALA . 12.6 m -99.51 114.45 27.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 107' ' ' LYS . 13.2 m-85 -98.13 109.74 22.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 3.7 mp -75.58 -46.68 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.96 142.99 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.83 139.61 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.64 120.83 20.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.77 -41.25 1.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 45' ' ' ASP . 24.9 p30 -92.4 150.7 40.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.23 25.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.66 119.31 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -89.31 -41.77 11.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.28 156.79 44.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.483 ' CE ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -101.41 143.73 31.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 116' ' ' ALA . 2.0 mm? -113.58 119.13 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 117' ' ' LEU . 41.9 m-85 -97.15 114.9 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 127.2 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.2 mm -105.72 -50.52 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.58 110.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.6 -159.53 32.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 106' ' ' VAL . 2.4 mp -157.92 171.6 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 8.7 pt-20 -120.5 118.34 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -95.28 136.51 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' CG ' ' A' ' 73' ' ' ARG . 2.5 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CG ' HG23 ' A' ' 61' ' ' VAL . 4.5 mtm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.6 m -154.89 171.56 19.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tp -125.87 155.4 41.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.83 164.92 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -100.93 -176.97 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.87 123.97 27.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 13.14 45.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.69 171.24 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -147.08 154.09 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' GLY . 97.8 m -123.36 166.97 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' CYS . . . 37.38 51.05 1.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -12.98 56.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -59.22 -15.51 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 119' ' ' ALA . 19.2 tp -70.61 -53.88 14.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -47.69 -63.02 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -53.2 -47.57 68.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 33.7 t90 -45.37 -52.8 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.028 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.79 -55.45 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -32.66 33.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.9 OUTLIER -79.07 114.34 43.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -25.44 11.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -117.46 125.92 51.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -60.71 151.48 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -115.12 13.57 16.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.71 152.41 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.8 m -110.42 149.79 29.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 58' ' ' LEU . 55.7 t -142.74 160.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 2.7 ttpt -151.86 147.47 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 38' ' ' SER . . . -91.12 116.39 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -96.28 -19.99 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -141.61 173.37 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 110' ' ' THR . 0.9 OUTLIER -60.49 119.42 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.27 128.14 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.16 115.71 30.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 52' ' ' PHE . . . -159.8 174.84 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 72.3 m-85 -109.74 167.35 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.48 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -116.1 152.54 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -132.21 119.87 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.436 ' CG2' ' HG3' ' A' ' 121' ' ' GLU . 7.3 tt -82.76 142.84 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -58.69 -52.94 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -68.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.436 ' HG3' ' CG2' ' A' ' 118' ' ' ILE . 3.7 mm-40 -51.8 -38.1 54.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.406 ' CD1' HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -62.03 -69.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.4 ttpp -47.61 -43.13 25.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.85 -64.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.13 -36.64 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.49 -65.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.036 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 81' ' ' PHE . 44.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -79.76 60.36 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.56 -53.82 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -86.28 -29.76 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.502 ' SD ' ' CD1' ' A' ' 25' ' ' ILE . 2.6 ttm -51.56 143.92 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -106.58 154.97 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.1 mt-10 -44.01 -60.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -46.51 -33.89 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD1' HG11 ' A' ' 125' ' ' VAL . 13.4 tp -75.8 -33.64 60.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.1 mm? -64.25 -54.28 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -54.26 -53.29 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.39 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 62.6 mt -59.97 -34.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.483 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 48.4 m -68.66 -50.64 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.237 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -21.97 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -79.48 -36.03 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.7 mt -39.81 127.31 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.3 152.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.46 161.41 41.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 108.259 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 1.5 tp -143.01 152.54 42.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 28.3 m-85 -107.01 114.61 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -89.5 -171.06 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.46 139.43 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 68.43 39.19 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.8 m -110.2 118.34 36.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.91 116.09 28.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.74 -56.41 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.86 159.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -135.72 129.83 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.53 123.56 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.53 -36.66 3.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -73.51 158.74 86.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.06 32.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.4 112.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.82 -44.9 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.3 150.58 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.608 ' SD ' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -96.31 150.17 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.8 mm? -117.9 124.34 48.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 13.9 m-85 -101.87 102.04 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.87 117.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -95.37 -48.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -165.6 128.7 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.18 -153.02 24.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.13 154.78 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD13 ' CG1' ' A' ' 112' ' ' VAL . 4.1 mp -152.81 171.03 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 8.6 pt-20 -122.7 128.04 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -101.18 137.07 40.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -155.41 171.39 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 12.7 tp -131.18 156.98 44.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 9.9 mt -123.18 164.38 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -136.35 -179.04 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.25 121.07 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.53 -40.58 1.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.63 145.49 53.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -118.2 175.07 5.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 111.031 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 91.7 m -131.2 169.68 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.74 31.73 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -59.14 -40.59 85.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.02 -27.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 51.6 tp -64.79 -44.52 89.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.46 -55.6 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -59.96 -46.79 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.576 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 31.7 t90 -41.56 -59.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 107.995 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.25 -56.69 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.0 -27.66 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -88.42 113.59 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.2 4.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -121.55 145.56 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -73.06 159.2 33.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.86 -17.68 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.31 158.68 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 m -101.52 106.21 17.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.87 145.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 156.83 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.95 117.01 33.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -101.13 -26.52 13.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 t -136.26 161.73 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.94 111.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.479 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 24.7 t -102.43 141.1 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.07 107.2 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -159.59 175.29 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -113.74 171.52 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.48 160.14 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -148.94 119.75 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.7 tt -82.36 145.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.576 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -52.39 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -39.7 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.96 -37.09 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 125' ' ' VAL . 1.3 tt -64.6 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 4.4 ttpp -48.67 -42.15 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.14 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.45 -28.24 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.08 -57.34 6.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.963 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 81' ' ' PHE . 21.5 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.61 57.22 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.07 -53.15 5.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -105.67 14.91 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.471 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -60.88 141.38 57.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . 38.1 t70 -109.72 141.95 41.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.93 -61.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -34.48 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' ASP . 8.3 tp -73.0 -37.6 66.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 17' ' ' MET . 4.1 mm? -56.94 -55.91 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.56 -50.17 74.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . . . -47.34 -60.81 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 77.1 mt -56.52 -30.33 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -68.49 -48.03 65.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -19.16 49.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.75 -36.02 57.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.8 mt -47.32 127.6 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.56 156.39 42.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.1 m -150.23 159.74 44.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -142.45 155.34 45.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 52.1 m-85 -108.91 110.33 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -84.43 -171.08 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt 69.95 39.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -111.43 114.34 27.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.6 m-85 -99.26 105.38 17.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -54.45 -65.68 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.32 139.83 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.25 133.28 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.76 123.27 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.98 -34.45 4.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -95.71 157.11 36.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.34 110.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.82 -44.26 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.99 152.32 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 117' ' ' LEU . 7.1 ttt -96.8 148.66 22.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -115.13 127.97 55.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CZ ' ' HE1' ' A' ' 50' ' ' MET . 33.1 m-85 -110.25 103.44 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 mm -59.16 122.48 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -100.74 -49.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.36 126.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.04 -160.24 28.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.39 156.67 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD13 ' CG1' ' A' ' 112' ' ' VAL . 2.1 mp -159.38 171.48 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 8.6 pt-20 -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.2 t -100.73 136.53 40.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m -143.7 172.29 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tp -123.68 152.31 42.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -117.6 162.77 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -131.78 -177.11 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.9 120.63 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.44 -33.89 3.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 137.49 51.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 p90 -119.1 155.25 31.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.0 m -113.95 172.25 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.41 34.71 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.8 64.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -57.05 -20.63 25.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD13 ' CB ' ' A' ' 119' ' ' ALA . 43.8 tp -74.79 -41.35 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 8.4 tp -56.62 -50.48 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -37.77 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.58 ' CZ2' ' HE2' ' A' ' 123' ' ' LYS . 27.8 t90 -42.03 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 107.947 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 123' ' ' LYS . . . -47.61 -49.53 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.23 -37.74 56.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.92 114.7 46.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.84 2.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.572 ' HG3' ' CD1' ' A' ' 89' ' ' TRP . 18.4 Cg_endo -74.97 -179.73 5.27 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -120.43 123.19 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -79.92 127.63 32.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 103' ' ' THR . 0.8 OUTLIER -90.59 21.18 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 158.55 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.7 m -144.31 98.55 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 107' ' ' LYS . 99.0 t -119.84 164.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -155.46 150.29 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.48 110.57 21.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -97.06 -23.55 16.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -139.09 155.54 47.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.92 129.77 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -132.83 164.24 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.85 115.32 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.38 174.41 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.96 173.46 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.09 153.92 29.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -137.63 119.59 15.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.9 tt -83.98 143.8 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.447 ' CB ' HD13 ' A' ' 86' ' ' LEU . . . -67.06 -47.17 72.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -70.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 7.2 mm-40 -47.87 -28.67 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -65.57 -68.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.58 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -40.44 -47.5 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -50.13 -58.77 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 24' ' ' ALA . 1.4 p -68.35 -28.61 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.89 -36.53 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 81' ' ' PHE . 22.7 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 57.8 m-85 -80.28 60.09 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.97 -50.92 8.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -77.03 -36.03 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD2' ' A' ' 21' ' ' LEU . 1.8 mmt -37.44 149.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' LEU . 29.5 t0 -109.74 154.29 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.03 -58.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -51.15 -35.62 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.499 ' CD2' ' SD ' ' A' ' 17' ' ' MET . 13.8 tp -70.57 -37.28 73.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -59.68 -51.3 70.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.38 -47.87 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.19 -52.04 29.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 28.0 mt -67.45 -24.28 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.4 t -72.94 -57.54 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 3.2 pt-20 -52.04 -27.24 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.04 -33.48 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.283 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -41.09 120.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -104.77 153.36 39.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 31' ' ' PRO . 13.2 m -150.8 154.01 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.3 154.22 44.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.0 m-85 -112.18 132.5 54.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -105.6 -168.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt 71.01 35.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.6 m -104.44 115.23 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 2.9 m-85 -99.35 106.91 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.8 m -133.57 151.78 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -132.27 171.43 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 103.33 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.19 -35.78 3.39 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.566 1.166 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -77.46 148.82 77.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.0 15.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' PRO . 16.7 t -117.74 115.5 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.21 -41.01 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.15 152.09 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.493 ' HE3' ' CE1' ' A' ' 52' ' ' PHE . 5.9 ttt -96.87 147.51 23.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.3 mm? -118.15 117.9 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.493 ' CE1' ' HE3' ' A' ' 50' ' ' MET . 77.5 m-85 -96.11 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.2 117.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -97.37 -52.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.47 96.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.18 -159.62 17.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.513 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.84 156.67 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.2 mp -162.54 171.71 16.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 10.7 pt-20 -128.87 126.9 40.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -101.43 138.34 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.4 m -155.24 171.59 19.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.75 154.4 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.58 159.05 24.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -130.72 -168.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -69.73 121.65 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.34 -30.38 4.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.93 140.54 40.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CE1' HD12 ' A' ' 13' ' ' LEU . 1.1 p90 -119.2 153.06 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.21 161.41 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 50' ' ' MET . . . 37.54 59.95 1.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -32.93 57.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -42.95 -28.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.542 HD12 ' CE3' ' A' ' 89' ' ' TRP . 23.7 tp -59.31 -52.78 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -45.65 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -57.96 -46.65 84.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.573 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 47.6 t90 -44.96 -59.18 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -58.05 -41.85 84.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -10.45 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -113.3 107.71 53.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.55 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.99 160.58 40.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 p -117.34 127.25 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 144.03 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 p -101.09 23.31 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 151.28 14.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' A' ' 106' ' ' VAL . 17.9 m -106.67 155.86 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 105' ' ' THR . 40.8 t -157.27 145.8 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -139.57 150.47 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.61 114.57 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.86 -24.68 14.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.46 117.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 t -109.33 145.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.24 107.67 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.44 175.03 13.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -107.98 170.15 8.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.55 153.08 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -138.62 119.68 14.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.1 tt -83.69 141.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.573 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -61.92 -45.97 91.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.97 -38.62 37.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 126' ' ' ALA . 0.8 OUTLIER -61.47 -69.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.2 ttpp -45.39 -47.19 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.97 -60.93 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -25.96 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 122' ' ' LEU . . . -68.93 -45.15 71.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -150.06 -58.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t 67.27 97.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 -94.13 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.58 121.06 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.48 147.91 30.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -61.15 -127.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.514 ' HB ' ' CE2' ' A' ' 14' ' ' PHE . 1.6 m 33.69 43.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -64.08 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 44.29 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 2.0 t -78.87 139.78 57.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.04 -33.17 4.74 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 81' ' ' PHE . 7.4 mt -41.66 -60.42 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 13.6 m-85 -81.04 57.86 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.18 -47.67 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -83.55 -32.79 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.47 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 2.3 ttm -51.51 152.67 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.92 158.2 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.7 mt-10 -48.11 -54.94 11.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -49.66 -35.12 20.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 17' ' ' MET . 13.4 tp -74.38 -29.8 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 22' ' ' LEU . 4.3 mm? -68.9 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -48.8 -49.98 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.24 -52.65 58.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.13 -36.49 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 30.2 m -64.73 -49.02 72.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.95 -21.62 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -32.92 51.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.0 mt -41.71 127.93 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -112.54 152.81 44.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -155.57 155.63 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.49 153.65 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 25.2 m-85 -104.97 139.16 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -116.55 -171.48 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.41 136.15 57.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 70.68 35.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -105.71 115.09 29.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.58 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 11.7 m-85 -91.72 120.2 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD23 ' CD2' ' A' ' 58' ' ' LEU . 8.3 mp -85.46 -57.68 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.3 m -130.2 150.19 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NE ' ' HB3' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -129.78 128.7 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -70.64 125.61 27.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.18 -30.73 9.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.89 158.85 49.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 t -116.63 120.89 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.05 -42.59 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 154.01 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE2' ' CE1' ' A' ' 52' ' ' PHE . 3.9 ttt -99.9 150.06 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.55 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -119.21 119.54 34.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' CE1' ' HE2' ' A' ' 50' ' ' MET . 83.4 m-85 -97.15 104.75 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.27 118.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.91 -48.85 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.63 109.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.2 -156.43 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -139.43 160.57 39.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 0.789 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.8 mp -160.83 171.26 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 11.2 pt-20 -127.61 131.11 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.54 130.91 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 2.5 t -136.24 144.66 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 t -122.12 161.51 22.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.7 p -122.56 -51.02 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.67 139.19 45.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.22 -127.7 8.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.5 -175.4 32.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -168.47 138.08 2.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m 53.34 93.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.28 -135.92 12.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.19 153.29 34.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 48.25 98.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -80.87 107.11 13.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -84.12 145.0 28.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -157.84 171.9 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 tp -123.56 153.88 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.1 mt -107.79 149.06 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.4 ptmt -83.7 -172.13 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 8.4 tp10 -79.39 136.39 36.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 9.28 75.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.68 130.17 39.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 13' ' ' LEU . 4.3 p90 -112.01 144.55 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.4 m -113.27 168.2 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.22 33.33 0.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -23.77 45.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.69 -30.57 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 119' ' ' ALA . 25.8 tp -58.96 -47.74 84.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 6.4 tp -47.56 -51.35 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.72 -42.82 85.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 57.4 t90 -46.51 -58.33 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.37 -40.35 77.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -14.21 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -118.69 97.03 50.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -54.2 -36.52 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 91.98 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.75 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.0 65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.98 169.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.85 157.64 2.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 -177.13 3.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -121.19 158.88 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.4 t -85.38 163.14 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 p -88.34 -29.17 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 174.5 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -102.71 113.66 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.09 149.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 9.1 ttpt -137.39 171.68 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.08 111.91 23.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -95.03 -25.1 16.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -135.22 165.01 26.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.61 113.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.03 152.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -129.14 107.11 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.45 174.93 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -111.11 172.9 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.59 20.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -145.97 122.05 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.7 tt -87.63 143.02 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.01 -49.9 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.91 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.63 -37.43 28.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.42 -69.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.521 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -42.63 -48.17 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.77 -61.56 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.437 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -63.99 -27.24 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.39 -60.29 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.7 -52.82 64.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -38.7 -46.97 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -55.71 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.99 86.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.39 95.37 3.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -141.22 -56.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 77.15 -174.42 54.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.03 4.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.15 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.0 p -108.03 132.88 53.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -172.81 79.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.59 -58.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.22 7.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -111.95 -59.21 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.17 139.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.2 -65.25 0.48 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.1 t -72.3 79.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.03 73.24 10.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.08 62.94 2.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.94 159.22 81.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.25 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.34 -62.65 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CA ' ' HB2' ' A' ' 17' ' ' MET . 21.9 m-85 -83.38 54.84 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -52.56 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -101.77 17.28 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.434 ' HB2' ' CA ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.23 140.06 38.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.7 m-20 -109.67 151.33 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -45.82 -45.28 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -54.88 -33.96 62.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.3 tp -80.16 -28.49 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 3.9 mm? -68.6 -57.27 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.74 -53.56 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.63 -62.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.4 mt -54.11 -35.52 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 1.3 m -65.4 -44.39 87.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.5 -18.68 42.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 3.0 mpt_? -82.02 -34.98 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.0 mt -43.29 121.9 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 154.02 39.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.79 3.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.5 m -148.83 157.56 43.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -140.07 153.73 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 21.1 m-85 -106.57 111.59 24.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -91.58 -168.51 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.77 139.3 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt 68.98 26.88 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -102.5 117.69 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.19 126.53 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.94 -51.45 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.14 157.58 37.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 156.17 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.55 104.52 16.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.97 -27.18 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -89.82 156.28 47.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 100' ' ' PRO . 45.2 t -111.46 103.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -75.02 -45.1 44.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.84 150.61 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.468 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 13.7 ttt -95.29 141.78 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -109.53 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.66 101.37 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.11 115.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.9 mm -90.26 -43.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 119.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.49 -162.27 35.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -131.28 155.39 47.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mp -158.38 171.2 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 9.5 pt-20 -125.05 129.3 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -95.55 125.67 40.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.59 143.46 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -151.75 149.11 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.401 HG22 ' CD2' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -152.06 93.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.96 142.12 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.36 -168.21 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.3 -68.9 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.64 85.36 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -58.52 139.0 56.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 147.65 4.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 49.48 99.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CD2' HG22 ' A' ' 63' ' ' THR . 6.5 m-85 -82.62 139.63 33.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -93.42 101.1 13.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -95.91 152.75 18.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.1 m -156.93 172.83 17.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.31 157.63 41.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.46 165.44 17.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -172.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 7.1 pt-20 -75.12 117.97 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.97 -19.36 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 135.04 34.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -113.65 170.03 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.9 m -127.9 164.7 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.85 50.95 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -72.64 -37.29 68.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.21 -35.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 47.3 tp -53.87 -47.79 70.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.4 tp -49.6 -54.77 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -64.13 -41.49 97.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.561 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 25.7 t90 -48.33 -54.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.478 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -61.57 -38.33 87.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.19 -4.73 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -128.63 88.91 50.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.16 -33.97 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.38 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.15 -50.2 4.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.42 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 175.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mt -45.5 156.98 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.02 171.24 18.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.9 t -121.22 142.79 49.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -62.71 161.79 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.2 p -98.47 -13.55 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -154.7 170.52 21.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 m -110.01 104.31 13.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.83 153.21 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -137.29 169.9 17.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.31 112.84 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -95.84 -27.17 15.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -137.11 169.38 17.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -60.73 122.47 14.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.1 t -125.78 132.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -103.14 118.49 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.06 175.23 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -117.45 165.79 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.71 168.8 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -155.17 119.34 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.418 HG23 ' CG ' ' A' ' 121' ' ' GLU . 7.6 tt -82.92 143.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.561 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.56 -50.47 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.419 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 5.6 mm-40 -46.34 -46.47 18.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 87' ' ' LEU . 1.4 tt -55.06 -53.42 56.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 0.5 OUTLIER -57.71 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -47.31 -60.25 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -31.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.38 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -54.82 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.72 -47.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.16 -56.8 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.37 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.12 131.09 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 55.9 p -171.63 155.02 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.83 -179.79 46.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -58.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -73.11 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 98.26 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -124.6 156.82 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.93 -120.41 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -152.11 -64.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 109.961 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 165.63 132.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 15.13 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 14' ' ' PHE . 58.8 t -87.57 60.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 84.86 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 52.4 38.32 24.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG11 ' CE2' ' A' ' 14' ' ' PHE . 1.8 t -72.55 139.94 81.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -32.54 5.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 81' ' ' PHE . 4.4 mt -41.95 -64.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 7.2 m-85 -77.39 58.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -52.2 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -101.55 -14.49 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.2 113.13 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.59 154.51 39.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -47.39 -48.94 25.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -36.78 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 125' ' ' VAL . 9.0 tp -75.5 -37.46 60.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 14' ' ' PHE . 4.4 mm? -64.22 -55.72 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.46 -46.79 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.63 75.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 44.6 mt -77.43 -29.24 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 99.2 m -69.17 -55.72 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.249 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 4.1 pt-20 -50.59 -28.4 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -69.35 -35.59 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 15.7 mt -39.97 126.33 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -105.94 154.26 39.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 18.1 Cg_endo -75.03 107.6 2.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 31' ' ' PRO . 61.6 m -150.68 158.37 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -142.69 151.95 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 19.8 m-85 -102.67 114.04 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.72 -168.32 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -71.96 144.0 49.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt 63.08 40.07 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -112.44 123.69 50.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.23 113.77 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 34' ' ' PHE . 9.6 mp -72.63 -58.85 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 151.44 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -92.21 105.54 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.92 -27.95 6.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 158.24 43.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.33 115.56 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.31 -42.57 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 152.67 41.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 117' ' ' LEU . 8.2 ttt -95.91 142.51 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.581 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -109.82 124.73 51.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -104.57 101.49 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.7 mm -60.75 119.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.2 mm -97.0 -48.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -168.12 145.06 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.22 -148.8 19.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.94 158.08 43.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 112' ' ' VAL . 3.8 mp -157.57 170.77 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 6.3 pt-20 -123.65 118.56 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -100.76 139.25 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.22 151.66 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.2 t -140.12 154.06 46.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 t -172.8 55.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -81.74 112.31 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.86 104.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.33 -156.09 11.02 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -177.89 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -90.21 -57.54 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 134.88 83.53 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.7 102.1 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -98.01 116.79 30.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -81.93 95.74 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -85.87 142.45 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.1 m -148.59 172.03 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tp -127.35 155.65 43.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.42 HD21 ' NH2' ' A' ' 104' ' ' ARG . 7.2 mt -124.96 158.72 32.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -137.07 178.85 6.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.18 127.72 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.23 -32.7 5.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.04 143.5 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -119.43 161.7 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.6 m -120.49 162.45 19.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.35 46.42 1.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.07 -36.19 82.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -41.38 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -52.02 -47.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 84' ' ' ASP . 2.4 tp -51.51 -56.72 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -63.42 -43.24 98.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 41.4 t90 -42.41 -63.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.509 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.09 -50.19 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -37.51 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -116.03 89.5 25.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.08 13.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -54.75 -34.18 62.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.7 -55.86 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.56 -178.58 30.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.11 -45.88 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -44.56 118.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -47.67 156.83 0.63 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.1 Cg_endo -75.0 168.93 23.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.95 128.08 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 162.61 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.0 p -111.82 -0.19 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.42 ' NH2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -163.13 147.12 11.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.7 m -97.52 148.32 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -136.95 144.14 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.82 156.48 44.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.65 117.32 34.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -99.32 -24.15 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -136.14 167.06 21.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.0 120.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 27.6 t -112.18 151.01 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.97 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.76 174.7 13.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -113.35 173.95 6.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.0 165.02 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -151.34 119.89 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 121' ' ' GLU . 7.4 tt -84.38 144.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.02 -50.42 66.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -67.52 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -49.2 -42.15 39.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -63.62 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.509 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -47.22 -50.37 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 27.2 t80 -48.89 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -62.86 -28.68 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.48 70.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -74.91 -48.95 22.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 3.6 mm-40 -38.24 -42.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -54.85 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 42.78 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -157.65 100.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.02 129.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -117.28 145.71 18.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 175.57 11.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.96 144.81 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -105.56 -60.31 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -60.3 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.6 p -127.24 142.66 51.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.58 -100.42 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -61.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t 65.29 91.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 52.5 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 67.8 t -107.67 54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.232 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.61 64.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 m -71.03 159.05 86.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.76 15.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 81' ' ' PHE . 53.1 mt -54.3 -64.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 19.0 m-85 -82.17 57.87 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -53.63 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.29 17.25 23.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.463 ' HE1' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -80.5 139.94 36.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' LEU . 49.8 m-20 -97.95 146.8 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.59 -40.06 5.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 6.5 mmm180 -59.24 -40.73 86.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 125' ' ' VAL . 10.0 tp -65.65 -39.32 91.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -65.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 26' ' ' CYS . 39.0 t0 -44.44 -61.96 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' CB ' HG22 ' A' ' 125' ' ' VAL . . . -42.42 -64.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CD1' ' HE1' ' A' ' 17' ' ' MET . 96.3 mt -51.62 -32.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.4 -65.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.33 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -45.24 -34.32 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mmt-85 -63.02 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 20.1 mt -38.07 119.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 153.42 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.3 m -148.64 160.83 42.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 150.85 41.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 22.6 m-85 -104.59 110.98 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -85.52 -168.97 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.39 139.93 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt 68.73 29.46 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.1 m -97.2 113.85 25.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.79 114.94 26.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.05 -59.45 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.71 150.1 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.57 128.24 42.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 107.58 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.22 -24.5 6.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.147 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -99.75 159.04 31.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.85 104.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -74.47 -46.17 41.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.9 149.99 46.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.473 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 13.9 ttt -95.53 145.49 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mm? -111.01 129.03 56.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.58 103.81 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mm -61.8 123.69 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.69 -45.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.69 117.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.04 -155.38 26.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 157.44 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.42 HD22 ' CG1' ' A' ' 106' ' ' VAL . 2.3 mp -158.1 171.56 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 8.5 pt-20 -120.9 117.69 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -95.52 132.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t -138.77 152.83 24.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 t -124.5 160.91 27.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -122.25 -51.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.0 90.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.76 104.27 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.95 -95.74 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.98 -54.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.2 152.76 44.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.88 -167.45 27.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.34 171.71 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -84.04 134.72 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.97 98.3 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 mpt_? -72.95 150.19 42.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 p -157.0 170.39 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.69 154.52 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.1 mt -112.94 164.32 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -122.87 -172.51 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.13 125.71 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.67 36.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 123.51 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 13' ' ' LEU . 13.0 p90 -104.37 163.45 12.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.3 m -125.3 167.07 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.355 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.23 55.91 2.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.28 -27.85 53.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.72 -21.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 35.4 tp -72.5 -46.17 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 3.4 tp -52.56 -48.04 66.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -39.95 77.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.538 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 50.5 t90 -47.08 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -50.21 -49.76 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.6 -29.84 27.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.27 111.72 57.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.03 8.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -59.25 -26.96 65.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.0 m -101.24 92.5 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.21 55.02 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.99 -50.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -127.47 128.34 45.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.5 mt -47.56 157.49 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.457 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.02 164.31 33.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -121.16 125.18 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -70.09 143.42 52.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.3 p -103.89 24.85 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.45 151.94 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.3 m -116.44 136.59 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.42 ' CG1' HD22 ' A' ' 58' ' ' LEU . 51.6 t -135.05 154.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.167 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.56 157.78 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.96 113.17 26.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -96.24 -21.86 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 2.4 t -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.455 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.5 tt0 -68.19 113.03 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.76 138.52 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.88 109.95 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.41 174.97 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.469 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 53.0 m-85 -113.87 169.4 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.49 165.19 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -148.85 121.92 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tt -83.52 144.11 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.538 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.56 -50.18 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -39.98 -67.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.95 -44.73 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.62 -53.91 27.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.476 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -57.48 -51.93 67.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.26 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -51.37 -38.82 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -68.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -51.95 -45.35 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.4 mm-40 -38.44 -57.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 17.2 m-85 -87.91 -58.29 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.22 128.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -178.01 102.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.87 93.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 46.04 -167.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 176.27 10.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.8 p -92.04 134.07 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.7 m -96.54 -60.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.11 -58.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.08 170.8 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.32 174.04 36.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.87 75.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -175.49 151.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.09 -104.38 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' O ' ' CB ' ' A' ' 9' ' ' ARG . 2.0 p -49.62 173.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER 79.15 135.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.28 15.44 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.482 HG22 ' CD2' ' A' ' 14' ' ' PHE . 15.0 m -81.51 159.12 67.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -8.95 20.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 81' ' ' PHE . 44.5 mt -67.03 -62.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD2' HG22 ' A' ' 11' ' ' VAL . 5.1 m-85 -80.53 57.73 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -51.15 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -88.53 -27.62 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.3 ttm -48.61 161.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.48 156.33 18.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -53.13 -52.66 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 7.5 mmm180 -45.89 -35.06 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tp -72.65 -38.35 67.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.4 mm? -62.13 -51.34 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.16 -52.5 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -58.73 -58.62 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.99 -33.01 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 14.7 m -71.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -28.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -70.93 -37.32 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.4 mt -38.2 119.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.97 152.3 38.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.778 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.7 m -148.76 160.64 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.43 153.4 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 30.5 m-85 -113.18 110.46 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -80.31 -168.23 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.85 140.87 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 3.8 mtmp? 70.78 30.08 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 m -97.01 120.86 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -102.48 105.31 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.45 -58.76 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 m -134.99 154.13 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.21 167.28 20.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.64 103.43 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.91 -34.06 4.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -78.57 153.12 78.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' PRO . 44.0 t -117.33 103.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.87 -45.63 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.54 149.57 42.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.602 ' SD ' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -95.84 148.38 22.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.561 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -117.07 117.55 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 64.7 m-85 -94.11 101.78 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.9 mm -57.92 120.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -98.79 -54.61 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.84 127.7 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.15 -149.74 20.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.19 146.67 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 4.4 mp -147.34 171.5 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 11.1 pt-20 -125.23 124.53 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -97.85 132.49 43.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.69 155.26 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 t -135.2 142.43 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.2 t -166.86 61.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.85 154.13 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.99 160.82 18.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.08 -58.41 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -149.37 97.01 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -149.41 169.72 20.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.65 -99.29 0.89 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.475 1.11 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -86.16 165.94 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -95.52 119.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.49 97.66 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 149.81 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 p -154.02 173.79 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -134.97 154.95 51.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.7 mt -119.25 158.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -172.14 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -71.01 121.85 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.4 -30.57 4.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.07 140.36 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.738 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.3 -174.62 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.36 163.53 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.86 40.31 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 0.3 OUTLIER -58.57 -40.24 82.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -44.67 -25.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 119' ' ' ALA . 17.4 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -49.22 -50.25 39.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -40.15 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 34.4 t90 -51.57 -54.17 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -64.61 -31.83 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 3.39 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -133.95 97.34 15.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.74 9.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -62.47 -29.92 70.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.69 170.27 12.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.71 -116.47 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.1 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m 45.67 45.58 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 t30 72.14 175.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.1 156.96 9.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 163.63 34.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -120.38 130.69 54.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -65.91 159.78 24.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 p -116.25 31.86 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.8 152.09 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 94.7 m -109.14 153.47 23.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.2 t -153.32 151.43 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -144.34 146.09 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -88.14 112.84 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -94.35 -22.17 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.406 ' HG1' ' N ' ' A' ' 111' ' ' GLU . 1.7 t -138.18 169.37 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' N ' ' HG1' ' A' ' 110' ' ' THR . 21.0 tt0 -55.17 112.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG1' HD12 ' A' ' 58' ' ' LEU . 13.5 t -106.94 142.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -124.27 110.92 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.4 174.9 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -110.38 166.08 11.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.2 156.2 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -141.75 120.04 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.1 tt -85.18 143.27 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.09 -51.7 65.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -40.11 -69.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.6 -34.06 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -41.85 -45.67 3.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.29 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.73 -39.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -52.55 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -50.42 66.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -38.82 -47.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -78.03 -43.14 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.69 146.62 13.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 -53.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.7 t 75.73 -59.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 69.82 -132.01 23.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.51 2.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.7 t -126.83 114.1 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.4 t -114.38 152.6 31.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -56.81 6.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -176.37 -52.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.41 38.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -69.27 136.33 51.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -113.08 132.68 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.92 78.18 0.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' HB ' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -165.32 -46.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 61.19 -90.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 11.7 ttp180 -136.47 37.5 2.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.9 t -77.62 140.13 63.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -30.48 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 5.0 mt -42.65 -54.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 22.1 m-85 -82.61 54.77 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -52.53 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -104.31 13.82 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mtp -94.28 118.26 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -62.84 157.59 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.83 -47.19 80.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -49.7 -29.84 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD12 ' CD1' ' A' ' 129' ' ' PHE . 12.0 tp -73.52 -36.12 65.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 14' ' ' PHE . 4.5 mm? -62.93 -61.87 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.62 -45.35 63.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -56.78 -56.8 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mt -62.7 -22.97 31.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 t -75.56 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.76 -26.26 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 1.6 mmt85 -71.52 -38.97 71.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 115' ' ' PHE . 18.8 mt -37.82 123.33 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -103.57 149.02 36.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 p -148.87 168.79 22.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.54 163.99 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 43.0 m-85 -124.9 112.68 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.502 ' N ' ' HG ' ' A' ' 38' ' ' SER . 1.2 p -79.13 -168.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.83 144.9 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 68.42 29.71 5.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.502 ' HG ' ' N ' ' A' ' 35' ' ' THR . 57.5 m -96.38 117.46 30.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 5.3 m-85 -99.02 104.38 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.39 -55.23 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.3 154.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -128.1 165.11 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.91 100.12 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.07 -30.16 5.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 15.7 p-10 -81.56 155.37 71.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 100' ' ' PRO . 22.5 t -120.0 101.74 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -46.83 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.45 153.07 50.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 117' ' ' LEU . 12.3 ttt -97.71 145.81 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -112.05 130.16 55.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -111.56 101.44 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 58' ' ' LEU . 16.9 mm -55.3 125.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.8 mm -100.76 -44.7 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.11 98.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.08 -149.08 6.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -150.03 159.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.753 . . . . 0.0 110.277 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.4 mp -162.35 171.99 16.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 7.6 pt-20 -119.09 126.79 52.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -101.53 127.06 48.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.8 t -133.39 153.51 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -134.81 150.3 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.6 p -119.18 -39.26 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.75 116.21 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.62 -70.27 0.1 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.17 98.61 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 63.43 137.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.04 127.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.83 121.37 5.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -156.51 109.93 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -92.07 105.94 18.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -80.74 99.3 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -75.01 154.82 37.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -161.34 169.84 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.45 154.66 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 mt -121.6 156.73 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -136.96 -179.21 5.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 125.21 18.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.79 -30.47 5.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.71 142.56 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -115.97 174.4 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.1 m -134.56 161.91 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 108.266 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.43 56.72 2.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.87 -29.77 44.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -45.74 -26.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.487 HD12 ' CE3' ' A' ' 89' ' ' TRP . 28.1 tp -65.57 -54.66 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 10.3 tp -42.76 -54.56 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.19 -44.02 93.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.577 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 45.2 t90 -47.62 -62.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -54.52 -47.77 72.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -27.61 33.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.93 112.64 62.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -29.69 7.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -62.42 -42.73 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m 48.97 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.61 -60.16 0.7 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.1 t -178.31 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.02 175.29 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt -48.31 157.35 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 159.14 41.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -120.6 125.76 48.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -67.41 153.2 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -107.17 24.64 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.29 153.13 15.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.6 m -109.01 155.0 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.43 ' CG1' ' CD2' ' A' ' 58' ' ' LEU . 32.6 t -153.31 145.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.64 146.75 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 112' ' ' VAL . . . -85.29 111.02 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.45 -26.97 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.5 t -134.85 155.91 49.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -40.23 112.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 110' ' ' THR . 2.7 t -103.94 142.46 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -128.49 107.64 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.36 174.79 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.462 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 m-85 -111.12 161.31 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.83 160.03 14.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -143.74 119.8 10.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.3 tt -82.12 142.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.577 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.85 -46.02 83.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 5.5 mm-40 -50.76 -34.42 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.61 -69.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 1.7 ttpp -40.68 -47.62 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.35 -67.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.3 -32.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.28 -23.81 62.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER -90.16 -40.71 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.038 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -45.82 -64.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.56 ' CD1' HD12 ' A' ' 21' ' ' LEU . 73.4 m-85 -82.64 -60.61 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 11.7 ptt180 42.1 28.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -75.84 116.58 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.2 m 63.85 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.02 166.84 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.71 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.98 111.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 t -172.06 132.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -135.96 -59.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.961 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.88 -57.95 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 142.03 3.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.4 p -121.36 139.58 53.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.16 98.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -153.91 -141.55 3.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' ARG . 24.7 m 39.18 61.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.95 79.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 38.96 64.61 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -75.94 158.94 81.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -10.7 21.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 38.5 mt -60.69 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 37.6 m-85 -83.25 56.14 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.49 -53.36 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -87.85 -22.0 24.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.514 ' CG ' ' HA ' ' A' ' 14' ' ' PHE . 6.9 mmm -47.7 156.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.77 147.54 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.3 tt0 -47.7 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -45.93 -28.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD13 ' CD2' ' A' ' 129' ' ' PHE . 7.5 tp -64.31 -42.19 96.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.2 mm? -55.93 -51.32 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.5 -42.37 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 53.8 mt -57.97 -29.98 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 5.2 m -69.25 -53.89 17.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.67 -22.46 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.36 -33.65 58.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 17.7 mt -44.73 121.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -106.92 153.63 40.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.0 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 31' ' ' PRO . 59.8 m -150.43 158.82 44.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -141.12 154.2 45.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 48.0 m-85 -113.15 110.93 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 38' ' ' SER . 1.1 p -79.78 -169.14 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.29 143.36 57.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt 65.52 38.15 5.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.471 ' HG ' ' N ' ' A' ' 35' ' ' THR . 9.7 m -103.56 120.08 40.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -97.47 113.63 25.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.23 -56.16 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.44 153.41 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 160.07 38.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.5 106.08 18.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.23 -35.35 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -83.22 153.62 66.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 t -119.59 107.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.32 -45.27 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.461 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -95.95 148.11 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -114.94 121.24 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 71.7 m-85 -99.42 102.08 13.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.2 mm -58.01 123.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.9 -51.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.79 124.48 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.11 -169.45 30.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -129.25 153.7 47.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 HD22 ' CG1' ' A' ' 106' ' ' VAL . 2.7 mp -155.61 171.89 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 8.0 pt-20 -123.56 133.89 53.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.9 t -110.23 135.03 51.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 73' ' ' ARG . 2.9 t -140.85 145.14 25.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.6 t -152.25 143.73 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' CZ ' ' A' ' 71' ' ' TYR . 72.6 p -115.91 -2.14 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.68 130.88 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.3 122.08 2.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -69.92 2.19 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.38 153.18 17.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 0.787 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.15 132.85 44.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.45 -149.35 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.03 172.49 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' CZ ' HG23 ' A' ' 63' ' ' THR . 6.7 m-85 -69.44 128.71 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -98.43 100.16 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -85.56 153.0 22.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -159.41 173.39 16.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tp -124.15 144.44 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.3 mt -107.87 110.88 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -77.05 166.48 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.48 121.6 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.25 -37.94 2.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -69.24 163.0 25.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -133.07 177.68 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 56.5 m -130.69 167.87 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.92 39.41 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -63.0 -25.41 68.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -48.95 -38.21 22.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 52.6 tp -50.34 -41.98 52.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -50.28 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -37.85 88.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.673 ' CZ3' ' CG ' ' A' ' 123' ' ' LYS . 42.9 t90 -48.64 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.69 -48.82 63.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -23.54 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.55 106.31 55.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -28.05 9.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.97 -35.92 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.45 78.96 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.98 75.08 0.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.57 -53.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -134.97 137.62 43.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 mt -45.69 157.94 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 163.03 36.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -119.8 127.13 52.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -77.14 122.63 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 t -87.01 44.29 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.6 152.21 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.9 m -117.96 137.59 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.444 ' CG1' HD22 ' A' ' 58' ' ' LEU . 49.7 t -134.19 152.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -144.36 156.43 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.91 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -83.34 -24.75 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.7 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.59 133.83 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.48 158.03 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.38 116.0 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.24 174.88 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -109.85 175.02 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 151.34 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -136.53 123.17 21.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.9 tt -85.74 144.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.69 -48.03 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 28' ' ' ARG . 3.8 mm-40 -48.65 -29.91 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -68.01 -69.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.673 ' CG ' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -41.08 -48.43 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.481 ' CE2' ' HG3' ' A' ' 128' ' ' GLN . 46.8 t80 -54.22 -69.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -29.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.33 -38.25 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -43.02 19.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.481 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 3.3 mm-40 -38.75 -67.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.419 ' CD2' HD13 ' A' ' 21' ' ' LEU . 92.7 m-85 -80.37 -60.91 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 -177.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.2 107.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 82.7 p -149.64 162.5 40.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.15 160.86 5.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.97 27.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.39 160.96 42.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.06 131.38 5.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 145.5 51.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -165.64 -59.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.75 -138.33 24.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p 53.08 78.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -106.97 -39.48 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.89 50.09 2.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' HA ' ' CG2' ' A' ' 11' ' ' VAL . 49.3 t -152.57 -49.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.8 101.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 70.74 41.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 8' ' ' VAL . 1.7 t -86.25 140.68 34.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.53 6.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' A' ' 81' ' ' PHE . 4.4 mt -41.6 -50.86 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD1' HD13 ' A' ' 22' ' ' LEU . 20.1 m-85 -88.23 50.75 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.9 -53.36 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -97.08 15.1 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 25' ' ' ILE . 89.9 mtp -100.94 137.57 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' CG ' ' CE1' ' A' ' 129' ' ' PHE . 4.1 m-20 -80.8 158.15 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.4 mt-10 -56.78 -47.49 80.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -49.88 -25.77 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.76 -34.76 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.578 HD13 ' CD1' ' A' ' 14' ' ' PHE . 1.5 mm? -59.34 -52.5 65.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.05 -53.76 44.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 125' ' ' VAL . . . -48.08 -52.06 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' CE ' ' A' ' 17' ' ' MET . 67.2 mt -67.66 -30.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' LEU . 42.7 t -67.48 -66.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -28.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -67.85 -42.22 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' CYS . 15.8 mt -39.45 118.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 152.16 39.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.3 m -141.74 163.13 33.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.11 149.35 38.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 12.3 m-85 -116.77 134.38 54.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -115.55 -168.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.91 141.52 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? 68.97 38.35 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -113.08 120.98 43.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 29.2 m-85 -99.28 119.29 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 9.5 mp -82.78 -59.08 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.38 157.2 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -126.91 160.91 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 118.25 32.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.94 -30.89 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 12.2 p-10 -87.66 157.3 52.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.8 17.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.07 112.99 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -84.28 -43.29 14.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -141.72 147.03 36.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.503 ' HG2' ' CE1' ' A' ' 52' ' ' PHE . 17.3 ttt -96.36 142.73 28.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 116' ' ' ALA . 1.3 mm? -110.13 136.67 48.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 8.5 m-85 -112.64 101.01 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.5 mm -53.34 124.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 14.6 mm -98.81 -49.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -171.25 137.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.81 -161.09 25.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.165 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' NE ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -128.83 163.35 25.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.55 171.43 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 5.2 pt-20 -118.7 121.17 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.7 t -96.82 132.7 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.35 142.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' TYR . 8.9 t -141.76 131.24 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.354 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.1 p -99.43 -57.04 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.18 118.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.69 -72.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.77 72.21 0.46 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 40.21 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.59 150.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.65 148.39 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.47 104.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.486 ' CB ' ' O ' ' A' ' 62' ' ' THR . 6.0 p90 -47.45 151.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -87.89 108.2 19.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.39 144.38 48.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 m -151.19 174.11 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' A' ' 57' ' ' ARG . 3.2 tp -131.27 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -118.87 158.15 26.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -131.14 -172.14 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 2.8 mt-10 -66.12 120.43 13.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.2 4.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 140.49 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CE2' HD12 ' A' ' 13' ' ' LEU . 1.1 p90 -117.42 167.01 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -124.24 165.8 16.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.16 32.43 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -62.37 -29.87 70.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -51.75 -34.68 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 19.6 tp -59.27 -55.6 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.1 tp -43.74 -48.87 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -70.13 -44.56 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.652 ' CH2' ' CD ' ' A' ' 123' ' ' LYS . 43.4 t90 -42.74 -66.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 107.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -48.71 -48.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.42 -26.74 61.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' THR . 15.3 t0 -88.37 117.17 68.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.17 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -49.12 -41.39 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 120.51 22.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.58 74.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.51 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.039 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -138.33 130.55 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.6 mt -45.54 157.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.0 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -121.35 140.62 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -63.57 163.45 11.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.2 p -94.96 -33.76 12.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 153.0 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 40.2 m -86.13 114.27 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.9 t -107.15 148.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 2.8 ttpt -139.03 161.0 38.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.21 120.08 41.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -102.75 -27.87 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 t -129.45 156.04 44.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -42.82 133.1 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.12 165.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.64 124.6 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.27 175.25 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.12 163.98 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -105.26 160.54 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -150.41 119.78 6.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.416 HG22 ' CG ' ' A' ' 121' ' ' GLU . 9.5 tt -83.62 146.37 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . . . -68.18 -51.88 40.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -39.89 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.416 ' CG ' HG22 ' A' ' 118' ' ' ILE . 5.5 mm-40 -47.83 -29.56 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -66.49 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.652 ' CD ' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -44.01 -45.28 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.49 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.44 -29.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -42.79 44.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -38.49 -47.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.466 ' CE1' ' CG ' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -96.93 -50.02 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.066 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -53.29 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.47 149.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.1 m -98.01 81.91 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -119.32 -169.18 14.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.41 105.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.0 t 44.88 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.49 -58.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.56 131.17 3.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.1 158.64 31.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p 174.76 -56.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 99.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.7 -92.85 0.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.554 HG12 ' CE2' ' A' ' 14' ' ' PHE . 33.2 m -92.75 37.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -11.36 57.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.05 39.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -81.81 140.76 47.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.0 4.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 9.9 mt -42.12 -64.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.554 ' CE2' HG12 ' A' ' 8' ' ' VAL . 74.5 m-85 -76.44 54.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -53.45 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -81.04 -21.6 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.404 ' CE ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -51.2 153.22 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 m-20 -110.12 154.15 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.91 -52.95 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -54.45 -31.37 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.5 tp -77.35 -33.1 55.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.0 mm? -61.94 -51.24 68.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 34.2 t0 -63.64 -57.84 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.97 -60.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.79 -36.98 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -59.29 -55.6 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.84 -23.47 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HD2' ' CG2' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -74.34 -41.67 60.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.4 mt -42.69 119.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.92 149.91 36.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 94.17 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.6 161.11 30.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.09 148.83 39.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 37.6 m-85 -109.37 112.25 24.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -82.9 -168.59 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.46 140.2 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 67.46 36.43 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 m -103.89 117.21 33.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 37.1 m-85 -93.04 117.77 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.73 -56.16 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.35 154.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.44 145.14 46.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -82.63 118.55 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 -35.83 3.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.5 156.29 35.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.28 16.68 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -110.57 106.71 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.99 -45.39 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.25 152.48 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' LEU . 8.0 ttt -99.08 144.27 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 mm? -111.89 127.61 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -108.66 103.09 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.99 125.33 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.58 -51.11 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.36 108.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.96 -155.68 24.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -143.05 157.29 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 112' ' ' VAL . 2.3 mp -157.59 171.79 19.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 10.7 pt-20 -124.22 136.91 54.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.09 126.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -133.65 149.42 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.8 t -144.75 157.8 44.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.503 HG23 ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -170.29 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -70.7 142.49 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.78 -155.84 41.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 45.06 -151.86 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -148.47 85.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.0 p -162.73 169.28 20.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -108.41 -77.9 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -52.16 143.67 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' CE2' HG23 ' A' ' 63' ' ' THR . 5.3 m-85 -77.21 126.7 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -88.61 95.27 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -77.85 151.02 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -164.13 173.48 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.57 155.84 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.73 166.0 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -95.03 -172.64 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -84.78 115.52 22.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.48 6.17 21.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.28 134.6 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -115.66 147.47 40.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 78.8 m -117.65 175.07 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.35 36.95 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -24.57 67.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.75 -28.92 52.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 26.1 tp -57.68 -55.71 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 5.3 tp -44.46 -48.1 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.498 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 42.1 t90 -43.39 -59.05 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.26 -54.75 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.404 HD23 ' CE ' ' A' ' 17' ' ' MET . 0.9 OUTLIER -51.9 -21.63 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -101.47 107.81 52.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.65 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -48.99 -35.91 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -50.1 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.049 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' SER . . . -55.52 -163.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.75 72.71 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -157.11 106.73 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.03 158.6 1.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.72 2.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -121.5 146.75 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.2 p -70.62 163.25 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 p -91.42 -41.82 10.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.42 163.62 39.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 m -86.1 106.45 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 107' ' ' LYS . 24.7 t -105.47 144.31 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 7.3 ttpt -132.31 165.0 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.64 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -95.88 -27.43 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.5 t -135.1 158.83 43.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -44.19 118.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 58' ' ' LEU . 12.7 t -109.51 145.2 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.35 105.75 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.16 174.95 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -111.52 171.65 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.28 166.27 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -151.03 123.85 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 28' ' ' ARG . 7.8 tt -87.9 143.7 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.498 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.5 -49.24 69.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.406 ' HG3' ' NE ' ' A' ' 28' ' ' ARG . 16.9 mm-40 -48.71 -37.73 19.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -61.11 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.7 ttpp -50.89 -46.41 60.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -62.24 -29.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -56.54 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 m -61.33 -50.35 73.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -38.74 -46.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -81.82 -52.23 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.41 82.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 94.27 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -151.07 140.34 21.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.15 170.33 13.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 51.4 p -65.92 139.3 58.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.78 165.63 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t 63.08 92.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -171.81 163.91 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.95 -132.57 40.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -172.36 100.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.01 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 159.81 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.03 -65.36 1.54 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -81.15 57.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -47.26 10.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -176.52 63.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.55 159.1 83.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD13 ' CG ' ' A' ' 81' ' ' PHE . 63.7 mt -63.29 -59.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -82.66 58.12 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -52.63 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -86.77 -17.02 34.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.58 154.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -110.22 156.32 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.95 -50.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -58.44 -29.39 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tp -75.01 -32.59 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' CYS . 4.4 mm? -65.49 -55.32 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -42.46 91.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.9 -32.4 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 21.7 m -68.13 -65.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.15 -28.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 6.3 mmt85 -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 117' ' ' LEU . 18.0 mt -37.29 130.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -107.1 151.79 40.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.1 m -150.06 157.54 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.21 150.16 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 27.8 m-85 -108.08 112.6 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -82.48 -168.52 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.73 141.92 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 67.47 34.55 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 m -95.98 119.59 34.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.26 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.32 -56.98 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.3 m -134.32 154.07 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 1.6 mtm180 -135.36 138.92 43.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 125.25 25.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.69 -33.79 6.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -89.48 148.23 39.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.85 15.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.0 t -109.13 120.64 60.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.34 -40.64 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' OE2' ' N ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -142.65 149.92 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.535 ' HE3' ' CE1' ' A' ' 52' ' ' PHE . 5.7 ttt -97.39 144.87 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -115.15 117.57 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CE1' ' HE3' ' A' ' 50' ' ' MET . 79.5 m-85 -93.91 106.0 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.416 HD12 ' CD1' ' A' ' 58' ' ' LEU . 9.0 mm -60.73 121.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mm -99.83 -46.92 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.06 106.71 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.17 -168.5 41.05 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -133.69 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 53' ' ' ILE . 2.5 mp -155.87 171.41 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 10.8 pt-20 -122.45 131.22 53.77 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 130.39 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t -136.35 147.13 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 t -116.73 140.91 48.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 p -111.3 -18.14 13.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.65 153.4 23.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.27 -78.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.28 -73.24 0.14 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 91.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.5 p 43.21 82.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.17 66.9 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 53.92 170.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -110.51 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.99 104.03 16.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 5.9 mtp180 -81.57 151.52 27.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -158.57 172.32 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.72 157.02 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -114.07 170.01 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -118.67 -173.86 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.57 127.42 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.75 33.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 174.75 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CG ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -155.98 142.91 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.4 m -107.85 158.91 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.18 50.68 3.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -69.91 -33.85 72.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.43 -26.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' A' ' 89' ' ' TRP . 37.8 tp -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 9.2 tp -52.16 -50.86 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.37 -41.08 81.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 40.2 t90 -45.37 -56.43 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.83 -51.68 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.21 -34.23 44.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 8.0 m-20 -75.98 126.34 87.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.51 2.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' SER . 78.0 p 43.82 50.11 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -95.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' SER . 15.0 p -157.14 -48.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -117.83 170.62 8.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.2 mt -41.91 159.44 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.433 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.5 Cg_endo -74.95 -169.05 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.55 146.43 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.6 p -69.91 163.7 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -89.72 -42.51 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.15 168.99 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.6 m -87.69 104.94 17.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 107' ' ' LYS . 40.1 t -106.96 144.85 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' N ' HG11 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -139.86 144.23 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.99 114.66 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -97.27 -25.71 15.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.6 t -134.62 158.81 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -41.81 122.77 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 110' ' ' THR . 3.4 t -117.74 149.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -134.25 109.08 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.48 175.11 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.418 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m-85 -111.97 162.5 15.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -103.83 156.08 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -143.58 121.57 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.6 tt -84.16 143.12 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.08 -48.78 74.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -66.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -54.44 -35.56 63.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 123' ' ' LYS . 1.6 tt -63.44 -67.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.473 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -38.96 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -46.0 -68.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -28.14 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.39 -60.03 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.4 OUTLIER -63.44 -45.71 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' SER . 4.3 mm-40 -38.61 -37.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.64 -46.73 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.3 -47.43 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.54 -61.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.4 -54.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -154.59 157.55 27.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 103.17 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.6 t -104.67 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.72 107.1 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 -57.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -168.07 151.42 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.78 -140.32 16.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -169.61 143.32 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.62 86.12 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.31 156.98 25.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.525 HG23 ' CE2' ' A' ' 14' ' ' PHE . 46.6 t 51.17 63.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -89.48 -35.71 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' CG1' ' CD2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -68.26 127.94 93.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 -33.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 81' ' ' PHE . 24.6 mt -41.86 -64.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CE2' HG23 ' A' ' 8' ' ' VAL . 6.4 m-85 -84.13 55.94 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.57 -53.18 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -81.26 -32.17 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.445 ' SD ' ' CD1' ' A' ' 25' ' ' ILE . 2.0 mtm -51.5 142.15 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.1 m-20 -105.46 158.09 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.99 -55.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -47.43 -42.45 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 129' ' ' PHE . 12.9 tp -67.43 -35.21 78.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.6 mm? -65.08 -60.39 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -49.95 -46.81 52.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.04 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 65.1 mt -52.42 -26.17 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 20.2 m -76.33 -60.52 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.0 -25.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -73.7 -35.36 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 18.8 mt -38.95 126.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 152.37 39.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 18.2 Cg_endo -75.06 107.24 2.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 31' ' ' PRO . 46.6 m -150.64 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.35 154.96 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 16.3 m-85 -107.97 111.06 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.58 -170.76 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.89 137.86 58.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt 69.58 25.93 5.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.1 m -91.98 114.32 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 32.4 m-85 -90.84 113.39 25.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.14 -51.14 11.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.3 m -141.31 154.66 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -131.13 140.24 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -78.51 110.27 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.62 -34.53 3.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 28.7 p-10 -87.42 158.15 52.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.02 23.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -108.61 117.2 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -89.49 -42.71 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 151.32 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.536 ' HE3' ' CE1' ' A' ' 52' ' ' PHE . 8.5 ttt -97.54 142.65 29.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.596 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -112.66 119.01 36.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.536 ' CE1' ' HE3' ' A' ' 50' ' ' MET . 80.1 m-85 -94.79 102.83 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -59.78 118.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 mm -98.27 -48.54 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.98 144.95 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.33 -155.6 21.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 157.99 44.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 112' ' ' VAL . 3.1 mp -155.79 169.41 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.53 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 5.6 pt-20 -112.51 112.96 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.1 p -98.1 128.41 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 t -137.1 135.22 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 t -119.21 152.49 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.66 -44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 54.01 74.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.21 131.14 48.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.9 31.07 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.36 -47.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.41 160.89 23.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.71 -65.01 0.42 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -50.87 152.38 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -111.19 116.02 30.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.61 103.37 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.09 141.36 38.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -154.2 172.99 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.01 145.24 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.8 mt -101.66 158.51 16.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -120.37 179.82 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 125.46 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.08 -28.03 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.25 138.99 44.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -118.13 153.77 33.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.57 163.75 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.17 48.96 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -66.32 -39.03 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' ASP . 14.7 mm-40 -38.27 -33.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 24.7 tp -55.48 -57.42 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.1 tp -43.04 -51.93 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 40.8 t90 -45.71 -62.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -49.91 -38.83 37.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -29.77 69.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -92.51 114.42 62.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -69.12 -40.28 78.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 p 63.84 139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.9 44.96 3.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.36 93.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.88 176.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 mt -44.03 157.37 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -172.78 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.5 p -121.35 138.24 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 42' ' ' ARG . 24.6 p -58.36 163.19 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 p -88.91 -38.5 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.03 173.04 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -93.94 102.52 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 107' ' ' LYS . 43.0 t -102.85 138.92 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.5 ttpt -135.25 145.56 47.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.41 128.08 36.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -112.0 -27.38 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.7 t -128.28 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -47.41 115.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 58' ' ' LEU . 18.8 t -108.1 154.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -136.32 107.99 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.51 174.73 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.5 166.29 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.57 168.39 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -157.97 119.94 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.46 143.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -62.67 -50.28 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.427 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 7.7 mm-40 -51.56 -36.29 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 126' ' ' ALA . 1.1 tt -61.72 -65.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 3.2 ttpp -48.12 -45.16 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -52.35 -62.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.86 -29.09 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 122' ' ' LEU . . . -67.91 -31.12 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -84.16 -47.36 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . 4.7 mm-40 -37.59 -68.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' A' ' 21' ' ' LEU . 82.0 m-85 -79.3 -60.66 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.34 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 61.73 141.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.15 158.34 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -91.82 -160.38 36.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.93 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.51 -64.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 t -171.68 -59.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 66.3 150.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.15 86.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -117.69 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -162.87 85.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -79.94 155.7 27.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.67 -148.62 1.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 49.0 t 59.2 56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 79.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.74 64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 m -69.97 159.06 85.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -20.86 16.53 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 30.6 mt -54.09 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.81 56.19 1.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.96 -52.12 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -88.75 -27.73 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.465 ' CG ' HD21 ' A' ' 21' ' ' LEU . 2.5 ttm -53.37 135.58 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -44.25 -53.94 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 14.9 mmm-85 -47.52 -36.65 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 17' ' ' MET . 12.1 tp -75.54 -31.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 3.9 mm? -64.45 -51.41 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -60.3 -55.76 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB1' ' CG2' ' A' ' 125' ' ' VAL . . . -49.57 -43.0 45.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -44.71 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -57.21 -50.48 72.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -25.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -76.93 -44.49 31.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' ARG . 38.7 mt -38.65 104.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 158.46 43.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.373 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 109.31 2.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.1 m -147.43 153.32 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 151.18 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 49.6 m-85 -113.69 139.62 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -116.38 -173.18 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 137.74 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 107' ' ' LYS . 4.8 mtmp? 69.89 40.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.2 m -113.93 126.87 55.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 20.0 m-85 -102.45 120.2 40.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 8.8 mp -85.78 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.14 153.99 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 125.5 42.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.01 128.5 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.67 -39.44 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -80.17 159.34 70.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.52 31.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.98 125.29 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -91.43 -38.75 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.05 149.52 38.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.576 ' SD ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -95.9 143.07 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.2 127.32 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 32.0 m-85 -104.7 101.88 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.2 mm -56.03 117.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mm -93.52 -55.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.64 128.84 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.31 -173.97 23.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 161.4 23.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mp -153.66 171.65 18.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 5.8 pt-20 -117.32 119.4 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 t -98.55 130.63 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.45 153.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -123.71 144.48 49.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.1 p -109.58 -47.75 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -88.33 131.45 34.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.41 -102.34 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.96 172.1 21.03 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.97 -55.96 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 0.77 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 p -56.58 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.96 -141.41 6.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.599 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 m-85 -98.21 -26.32 14.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 70' ' ' PHE . 35.3 m-85 -167.72 106.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -85.97 96.36 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -79.91 150.23 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -146.05 172.59 13.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 14.6 tp -129.51 157.68 41.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.426 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 4.6 mt -133.12 159.07 41.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -133.64 -179.69 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.85 124.76 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.18 -41.61 1.81 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.14 146.33 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -119.55 176.95 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.1 m -131.36 160.14 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.92 27.59 1.04 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -50.65 -36.94 37.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -45.28 -26.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 49.2 tp -66.0 -43.64 87.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 84' ' ' ASP . 3.0 tp -54.94 -52.71 62.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.74 -38.35 86.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.18 . . . . 0.0 110.418 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.602 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 35.6 t90 -46.06 -64.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 107.955 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 123' ' ' LYS . . . -51.36 -53.77 33.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -27.06 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 14.0 t70 -87.55 117.72 68.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.04 5.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -55.0 -43.27 73.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.9 p -73.46 119.76 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.84 70.57 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.05 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.22 125.43 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt -43.72 158.23 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.05 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -121.73 155.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 t -82.23 163.76 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -87.15 -38.07 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 159.82 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.7 m -83.75 104.9 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 107' ' ' LYS . 43.8 t -100.52 145.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 4.7 ttpt -135.12 164.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.47 117.81 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -103.08 -26.09 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -134.02 156.61 47.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -41.78 114.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.5 151.9 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.23 118.39 20.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.249 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.69 175.1 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.71 173.85 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.32 161.03 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -154.16 119.41 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.9 tt -82.76 144.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.602 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -68.68 -49.75 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -39.79 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 -46.74 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -52.3 -59.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -49.93 -53.48 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 128' ' ' GLN . 30.5 t80 -51.82 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.412 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.92 -31.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 130' ' ' ARG . . . -68.26 -49.17 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 128' ' ' GLN . 7.6 t -70.39 -54.78 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' SER . 13.1 mm100 -38.4 -67.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 6.6 m-85 -60.83 -46.01 92.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -66.75 94.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -96.62 130.71 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t 64.52 112.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.54 -161.78 11.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 160.66 39.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.98 154.64 37.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 t -94.09 -58.66 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -157.62 124.34 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -50.77 -59.22 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.47 121.45 2.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 95.63 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.976 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.66 136.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -152.46 -140.58 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' CG1' ' CD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -39.04 -43.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.22 -65.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -160.37 34.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -77.45 129.34 77.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.0 7.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 81' ' ' PHE . 27.5 mt -41.11 -64.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.479 ' CD2' ' CG1' ' A' ' 8' ' ' VAL . 70.9 m-85 -79.55 55.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -52.95 6.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -72.35 -31.86 65.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.434 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.69 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -109.77 157.18 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.49 -59.17 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -51.63 -33.67 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 125' ' ' VAL . 6.7 tp -72.11 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 4.6 mm? -64.7 -61.72 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -52.01 -44.39 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' CG2' ' A' ' 125' ' ' VAL . . . -54.83 -52.4 62.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.37 -21.89 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.1 t -74.14 -53.94 8.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 1.8 pt-20 -54.69 -25.93 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -70.7 -33.76 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.7 mt -40.3 116.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -94.11 140.15 22.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.468 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.03 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 m -151.15 168.35 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.68 165.52 27.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 31.0 m-85 -127.26 112.44 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -81.4 -168.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.43 143.26 50.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 66.78 37.66 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -106.29 114.96 29.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.7 m-85 -91.7 107.28 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.76 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.25 157.58 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 4.0 mtp180 -134.63 171.21 14.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -99.98 108.06 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.28 -19.16 8.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 19.7 p-10 -99.55 152.38 37.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 170.63 19.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 100' ' ' PRO . 15.2 t -112.47 109.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.79 -44.97 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.7 151.14 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 117' ' ' LEU . 6.4 ttt -98.54 145.68 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -113.19 124.73 53.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.406 ' CE2' ' CZ ' ' A' ' 14' ' ' PHE . 81.6 m-85 -105.48 101.3 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.18 123.37 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.8 mm -100.92 -47.79 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.21 103.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.21 -166.6 38.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -132.41 157.96 43.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' A' ' 112' ' ' VAL . 3.8 mp -159.39 171.21 20.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 9.3 pt-20 -124.63 120.95 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.3 t -96.31 128.97 43.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.64 147.24 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -119.94 156.32 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.5 p -120.93 -56.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.48 133.42 45.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.88 -136.26 3.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.45 -91.89 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.25 -50.52 2.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 m -69.56 145.14 52.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.75 106.55 3.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -144.03 159.7 42.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -120.12 106.16 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.67 96.29 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -78.95 151.76 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 3.3 t -157.85 173.76 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' OG ' ' A' ' 74' ' ' SER . 6.0 tp -125.2 149.39 48.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.4 mt -112.63 114.65 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -174.67 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.75 120.62 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.41 -26.07 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.85 157.47 35.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.542 ' CE2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.32 176.65 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.44 164.49 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.85 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -12.06 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.46 -33.95 70.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 ' CD1' ' HB1' ' A' ' 119' ' ' ALA . 26.6 tp -54.67 -57.18 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.7 tp -42.34 -51.58 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.17 -42.78 88.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.472 ' CB ' ' HG3' ' A' ' 100' ' ' PRO . 48.2 t90 -49.28 -56.62 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.021 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.87 -58.63 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -23.65 13.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -73.58 115.43 41.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.89 5.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -56.99 -40.52 76.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -54.87 161.95 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -147.8 -56.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.53 -51.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -41.75 107.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.12 157.19 78.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.8 p -120.77 133.94 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.422 HG23 ' NE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -108.42 -13.5 14.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.422 ' NE ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -156.51 160.97 40.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m -99.84 113.29 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.401 ' CG1' HD21 ' A' ' 58' ' ' LEU . 41.7 t -107.57 152.14 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -147.08 150.1 34.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 112' ' ' VAL . . . -91.01 111.92 23.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.49 -27.62 15.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 1.2 t -133.17 164.0 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.51 119.83 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 58' ' ' LEU . 2.5 t -112.28 154.25 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.01 106.46 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.433 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.34 175.17 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.31 166.39 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.87 160.86 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -146.07 122.47 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.463 HG23 ' CG ' ' A' ' 121' ' ' GLU . 8.3 tt -84.85 143.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -66.09 -49.86 66.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.15 -66.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.463 ' CG ' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -51.96 -38.15 55.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.28 -69.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -45.18 -48.08 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -51.1 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -57.43 -35.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -49.07 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -39.49 -51.36 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -46.57 22.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.48 85.41 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 99.75 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.7 p -45.78 159.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -67.22 129.1 28.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.48 5.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.06 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.0 p -167.16 133.96 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.108 . . . . 0.0 110.989 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -161.58 158.12 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.92 169.67 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.88 -108.45 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 45.9 74.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -172.11 126.21 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.09 -161.26 26.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t 63.97 73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -87.55 78.33 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.83 33.7 15.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -69.41 126.24 92.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.58 5.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 81' ' ' PHE . 35.3 mt -40.65 -64.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CD2' HG12 ' A' ' 11' ' ' VAL . 14.6 m-85 -77.95 56.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -49.36 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -82.98 -32.67 26.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 21' ' ' LEU . 2.6 mtm -51.61 145.75 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.13 158.03 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -45.31 -57.71 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.9 -34.23 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 17' ' ' MET . 9.4 tp -76.5 -30.96 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.9 mm? -65.24 -57.12 9.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.78 -50.38 70.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.5 -52.18 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.9 mt -64.72 -42.75 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 6.8 t -53.06 -51.39 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -25.64 15.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HD2' ' CG2' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -72.75 -39.98 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.3 mt -43.49 114.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.65 154.69 37.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.45 163.48 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.65 165.18 28.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 34.8 m-85 -119.69 111.05 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -87.34 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 141.92 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 71.62 14.13 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -90.73 113.62 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 21.9 m-85 -94.7 124.93 39.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.0 -55.42 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.34 150.57 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.48 165.15 22.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 123.67 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.58 -36.42 4.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -87.8 152.41 51.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.57 118.1 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -88.94 -41.33 12.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.77 153.86 46.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.47 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 16.1 ttt -106.02 140.45 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.3 mm? -110.74 130.58 55.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 8.1 m-85 -106.82 101.18 10.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.36 121.41 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 12.2 mm -97.85 -43.92 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -173.62 104.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.44 -159.24 24.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.49 157.06 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' A' ' 106' ' ' VAL . 2.5 mp -160.12 171.87 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 12.7 pt-20 -125.09 129.67 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -98.75 136.77 38.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.97 142.38 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 t -123.93 142.42 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.424 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.9 p -107.29 -37.62 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.43 65.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.34 -82.48 0.71 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.03 -157.7 22.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.46 -66.7 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.69 153.13 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.91 -135.18 4.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.03 140.34 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -101.78 117.37 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -84.45 149.18 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -157.12 173.61 16.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tp -130.37 154.19 47.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mt -121.54 166.71 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -132.0 -171.98 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 123.63 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.34 -41.71 1.64 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.99 143.17 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.65 165.08 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.58 159.95 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.02 47.99 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -32.78 73.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -38.12 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 35.0 tp -53.85 -48.34 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 7.1 tp -50.14 -46.5 53.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -72.51 -38.51 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.502 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 35.1 t90 -48.11 -58.35 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -60.14 -44.65 94.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -14.56 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -106.61 109.81 63.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.57 7.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -58.41 -35.95 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -76.52 77.69 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.93 129.79 9.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.16 178.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 57.44 106.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.0 mt -64.5 157.79 70.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 176.09 10.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.28 143.72 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 163.64 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -92.78 -33.19 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -152.8 164.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.7 m -93.15 112.09 23.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' A' ' 58' ' ' LEU . 28.1 t -111.49 143.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.532 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 4.7 ttpt -132.0 164.21 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.07 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -99.25 -23.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.7 t -135.59 155.09 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.98 121.52 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD12 ' A' ' 58' ' ' LEU . 3.1 t -114.3 152.33 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -132.53 106.38 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.447 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.36 174.89 13.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.56 173.88 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -108.77 168.38 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.425 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.4 121.03 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 28' ' ' ARG . 7.2 tt -85.76 143.11 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.502 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.4 -48.62 77.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.9 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.407 ' HG3' ' NE ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -48.11 -33.99 9.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.69 -69.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.483 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 3.3 ttpp -44.47 -43.99 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.47 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.463 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -60.55 -25.8 35.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 125' ' ' VAL . . . -74.04 -38.6 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -65.99 -52.03 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.1 mm100 -37.89 -36.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.8 -56.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 91.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -79.25 -51.67 9.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.94 93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.18 -171.35 35.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.6 p -153.91 109.67 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.8 p -100.4 144.15 29.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.8 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.97 155.06 22.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.49 -161.82 9.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.76 175.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m 63.01 136.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -69.25 0.54 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 16.0 m -102.05 65.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 100.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 41.83 45.04 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -80.53 127.29 76.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.11 9.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 7.1 mt -41.49 -64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CD2' HG13 ' A' ' 11' ' ' VAL . 51.5 m-85 -76.35 57.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -43.81 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.37 -27.82 38.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -47.29 157.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.58 156.99 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.02 -56.64 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -51.29 -33.08 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' CD1' HG12 ' A' ' 125' ' ' VAL . 7.9 tp -77.47 -31.15 53.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -65.64 -57.32 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.59 -49.49 74.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.25 -64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.8 mt -53.16 -33.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.2 m -64.92 -60.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -32.92 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.65 -40.02 93.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.9 mt -40.66 121.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.36 148.8 35.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.56 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -155.64 164.47 38.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.01 152.95 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.8 m-85 -102.63 119.34 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -95.23 -169.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.09 141.01 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? 69.07 30.22 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -105.47 114.17 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 14.5 m-85 -93.61 120.73 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.52 -51.36 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.0 m -142.2 149.38 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -130.16 160.19 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 105.23 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.34 -29.88 5.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.77 156.75 61.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.366 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.88 103.1 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.84 -47.04 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.35 153.98 43.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -96.54 149.23 22.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.2 mm? -118.9 118.2 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -95.12 108.12 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 mm -63.36 120.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.1 mm -100.58 -48.44 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.68 131.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.01 -148.26 18.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.36 145.36 29.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD11 ' CG1' ' A' ' 112' ' ' VAL . 3.7 mp -147.74 170.48 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 7.5 pt-20 -121.87 119.13 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 104' ' ' ARG . 96.7 p -98.63 136.63 38.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.97 154.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 t -131.98 149.3 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.464 ' HB ' ' CD2' ' A' ' 71' ' ' TYR . 3.4 t -171.19 59.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.18 165.2 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.88 -62.42 4.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.15 -168.53 27.23 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 76.8 -66.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.28 150.29 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.66 142.89 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.19 124.48 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' CD2' ' HB ' ' A' ' 63' ' ' THR . 26.4 m-85 -83.47 118.4 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -82.86 107.89 15.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.64 138.5 31.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -144.97 173.17 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.16 157.28 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -124.47 170.82 10.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -127.42 -171.93 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.36 121.73 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.53 -25.52 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.43 139.56 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.693 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -115.82 170.23 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 1.4 p -120.42 156.6 31.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 108.277 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.31 53.58 2.74 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.9 p-10 -67.39 -19.78 65.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.68 -38.51 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 119' ' ' ALA . 51.3 tp -50.19 -46.57 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -51.62 -50.06 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.07 -40.87 82.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.499 ' CZ3' ' CB ' ' A' ' 119' ' ' ALA . 42.0 t90 -45.75 -56.95 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.77 -50.16 71.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -25.92 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -90.59 114.04 59.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -53.21 -39.82 64.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.19 145.0 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.86 -177.27 42.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.65 -74.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.08 122.27 32.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.68 157.13 40.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.08 23.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.37 134.98 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -75.21 154.9 37.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.07 -11.28 14.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 105' ' ' THR . 3.7 ttm180 -116.91 147.07 42.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 22.3 m -115.33 103.95 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -105.83 155.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -141.61 161.66 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.37 114.85 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.95 -23.86 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.4 t -136.38 165.86 24.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -54.14 114.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 58' ' ' LEU . 13.7 t -107.0 144.19 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.86 108.38 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.7 174.91 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.95 163.88 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.41 165.07 11.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.87 119.39 6.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.422 HG23 ' CG ' ' A' ' 121' ' ' GLU . 7.6 tt -81.6 143.81 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.499 ' CB ' ' CZ3' ' A' ' 89' ' ' TRP . . . -65.64 -49.4 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.52 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' CG ' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -47.16 -31.43 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.08 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 3.2 ttpp -44.31 -47.59 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 55.9 t80 -49.92 -64.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.14 -27.8 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.31 -58.14 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -68.83 -48.63 63.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.937 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.47 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 9.1 mm-40 -38.69 -46.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.42 -42.34 22.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.99 156.68 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -120.74 -52.55 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.0 p -178.35 117.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.44 128.37 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.79 5.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.9 t -151.27 144.64 24.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.2 t -152.65 -58.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.97 157.93 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 0.0 109.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -159.35 159.59 34.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.01 -147.22 4.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -124.09 106.04 10.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.63 158.78 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 -67.48 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 p -78.38 56.68 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -30.92 70.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 172.12 68.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.38 159.25 82.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.09 21.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.26 -61.58 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -81.83 53.16 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -53.0 6.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -86.12 -17.11 35.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.96 153.13 3.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -109.94 151.51 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.83 -50.02 5.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 32.1 mmt180 -55.21 -36.49 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASP . 7.3 tp -70.92 -35.27 72.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 22' ' ' LEU . 4.3 mm? -61.46 -58.37 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -54.46 -53.81 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.77 -68.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.4 mt -48.85 -30.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.14 -59.17 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -45.76 -30.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 9.5 mmp_? -66.22 -41.49 90.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' ARG . 16.9 mt -39.53 111.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 151.47 37.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.24 2.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.9 m -145.62 163.93 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.87 164.56 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 39.2 m-85 -124.9 110.06 13.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -76.86 -168.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -71.22 146.99 48.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 62.21 33.91 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -106.05 113.8 27.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.19 119.41 31.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.41 -58.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.58 146.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.96 176.8 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 108.27 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -22.12 10.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -91.07 152.43 44.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.74 30.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.38 105.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -78.78 -44.76 22.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.64 150.7 45.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 84' ' ' ASP . 12.1 ttt -95.61 138.55 33.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mm? -106.72 131.48 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -113.33 101.44 9.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD13 ' CD1' ' A' ' 58' ' ' LEU . 17.6 mm -53.98 120.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -99.31 -50.14 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.04 99.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.74 -154.55 12.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -146.32 159.6 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.7 mp -160.55 170.06 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 60' ' ' SER . 0.7 OUTLIER -118.12 116.58 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 5.1 p -105.89 145.64 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.4 t -145.46 140.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -115.82 153.36 31.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.448 HG21 ' CE2' ' A' ' 71' ' ' TYR . 53.7 p -116.39 -51.2 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.29 -55.87 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.19 -101.65 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.66 -56.12 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 136.36 19.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -40.77 121.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.85 -101.7 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.23 167.27 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.448 ' CE2' HG21 ' A' ' 63' ' ' THR . 9.5 m-85 -103.69 162.39 13.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -125.88 99.91 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 6.6 mpt_? -71.91 140.75 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 t -144.14 174.05 11.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -134.44 147.14 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.38 122.3 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' NZ ' ' HB2' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -96.1 -172.17 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -66.55 126.84 30.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.43 -34.3 4.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.2 156.06 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.06 166.95 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 42.08 44.33 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -69.68 -32.97 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -46.16 -32.93 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 31.0 tp -56.46 -50.64 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 tp -48.5 -48.47 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -39.06 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 43.4 t90 -52.26 -52.48 52.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -63.33 -48.44 77.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.47 -37.77 57.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.64 71.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.1 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -29.21 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.52 104.3 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.01 100.0 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p 177.88 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.962 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -135.39 143.04 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.53 156.56 1.49 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 169.25 23.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -120.6 127.78 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 p -76.9 130.23 37.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 103' ' ' THR . 1.1 t -93.22 51.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 151.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 43.7 m -116.22 132.15 56.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.4 t -131.6 151.37 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -143.29 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.66 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.411 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -102.83 -22.31 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' GLU . 6.9 t -135.56 152.18 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' THR . 5.7 tt0 -38.31 116.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG1' HD13 ' A' ' 58' ' ' LEU . 5.1 t -105.02 154.56 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.0 107.16 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.2 174.91 13.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -108.21 169.98 8.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 168.55 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -156.83 119.95 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.408 HG23 ' CG ' ' A' ' 121' ' ' GLU . 8.0 tt -83.9 143.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -51.28 62.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.439 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 6.7 mm-40 -48.35 -40.48 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -61.76 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 1.7 ttpp -50.31 -48.32 55.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 128' ' ' GLN . 58.0 t80 -51.66 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.06 -29.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.74 -52.99 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -52.73 34.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 5.5 mm-40 -40.33 -45.18 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -76.54 -55.63 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 40.5 84.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -121.06 114.61 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 111.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.95 -177.63 23.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.2 p -160.52 131.12 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 74.96 -58.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.81 162.06 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -113.92 125.85 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 157.76 9.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -133.5 80.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -146.98 100.62 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.11 54.13 0.29 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -161.45 103.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -79.32 56.16 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.75 49.07 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.05 159.3 83.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.24 6.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD12 ' CG ' ' A' ' 81' ' ' PHE . 65.1 mt -43.56 -63.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 87' ' ' LEU . 29.4 m-85 -83.01 53.23 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 -52.61 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -78.51 -16.8 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 146.79 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.51 157.54 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -45.53 -54.56 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 6.7 mmt180 -54.17 -30.5 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.44 HD12 ' CG2' ' A' ' 125' ' ' VAL . 3.3 tp -74.03 -35.82 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.6 mm? -61.19 -47.95 83.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.38 -53.22 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 27' ' ' GLU . . . -51.14 -58.83 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.64 -28.48 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.21 -62.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -47.44 -25.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -70.52 -35.35 73.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 18.6 mt -40.69 115.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 153.07 37.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.16 155.75 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.38 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 17.1 m-85 -119.17 123.54 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.7 -175.69 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.82 135.28 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt 71.04 35.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB2' ' CB ' ' A' ' 108' ' ' ALA . 12.6 m -99.51 114.45 27.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 107' ' ' LYS . 13.2 m-85 -98.13 109.74 22.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 3.7 mp -75.58 -46.68 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.96 142.99 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.83 139.61 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.64 120.83 20.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.77 -41.25 1.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 45' ' ' ASP . 24.9 p30 -92.4 150.7 40.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.23 25.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.66 119.31 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -89.31 -41.77 11.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.28 156.79 44.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.483 ' CE ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -101.41 143.73 31.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 116' ' ' ALA . 2.0 mm? -113.58 119.13 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 117' ' ' LEU . 41.9 m-85 -97.15 114.9 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 127.2 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.2 mm -105.72 -50.52 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.58 110.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.6 -159.53 32.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 106' ' ' VAL . 2.4 mp -157.92 171.6 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 8.7 pt-20 -120.5 118.34 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -95.28 136.51 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' CG ' ' A' ' 73' ' ' ARG . 2.5 t -143.74 150.6 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -155.03 141.05 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.7 p -102.54 -41.64 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.64 177.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.33 176.95 19.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 -82.45 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.14 95.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 m 58.81 172.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.57 157.4 7.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.525 ' CE1' ' OD1' ' A' ' 72' ' ' ASN . 39.9 p90 -101.48 166.33 10.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.786 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -74.94 113.18 11.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.525 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 12.6 m-20 -84.85 107.65 17.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' CG ' HG23 ' A' ' 61' ' ' VAL . 4.5 mtm180 -90.46 144.47 25.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.6 m -154.89 171.56 19.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tp -125.87 155.4 41.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.83 164.92 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -100.93 -176.97 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.87 123.97 27.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 13.14 45.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.69 171.24 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.45 ' CG ' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -147.08 154.09 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' GLY . 97.8 m -123.36 166.97 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' CYS . . . 37.38 51.05 1.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -12.98 56.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -59.22 -15.51 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 119' ' ' ALA . 19.2 tp -70.61 -53.88 14.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -47.69 -63.02 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -53.2 -47.57 68.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 119' ' ' ALA . 33.7 t90 -45.37 -52.8 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.028 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.485 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.79 -55.45 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -32.66 33.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.9 OUTLIER -79.07 114.34 43.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -25.44 11.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -71.1 -38.99 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.4 p 57.51 165.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.15 53.16 0.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.54 -64.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -123.26 -159.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.73 158.53 86.85 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -117.46 125.92 51.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -60.71 151.48 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -115.12 13.57 16.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.71 152.41 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.8 m -110.42 149.79 29.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.462 ' CG1' HD23 ' A' ' 58' ' ' LEU . 55.7 t -142.74 160.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 2.7 ttpt -151.86 147.47 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 38' ' ' SER . . . -91.12 116.39 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -96.28 -19.99 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 0.3 OUTLIER -141.61 173.37 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 110' ' ' THR . 0.9 OUTLIER -60.49 119.42 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.27 128.14 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.16 115.71 30.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 52' ' ' PHE . . . -159.8 174.84 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 72.3 m-85 -109.74 167.35 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.48 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -116.1 152.54 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -132.21 119.87 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.436 ' CG2' ' HG3' ' A' ' 121' ' ' GLU . 7.3 tt -82.76 142.84 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 89' ' ' TRP . . . -58.69 -52.94 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -68.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.436 ' HG3' ' CG2' ' A' ' 118' ' ' ILE . 3.7 mm-40 -51.8 -38.1 54.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' CD1' HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -62.03 -69.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.485 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.4 ttpp -47.61 -43.13 25.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.85 -64.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.44 ' CG2' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.13 -36.64 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.49 -65.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -51.03 -50.66 58.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.036 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -40.42 -44.83 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -85.71 -55.31 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.03 124.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -169.76 88.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 t -169.4 -62.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 156.22 154.3 6.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.59 2.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.3 t 61.51 146.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -80.97 -58.95 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -54.16 142.22 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.0 117.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 171.61 52.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -40.19 120.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 101.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.98 65.18 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.63 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 7.2 p -128.28 -51.93 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -56.65 89.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.72 158.77 84.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.78 5.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 81' ' ' PHE . 44.1 mt -44.92 -64.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.63 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 15.2 m-85 -79.76 60.36 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.56 -53.82 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -86.28 -29.76 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.502 ' SD ' ' CD1' ' A' ' 25' ' ' ILE . 2.6 ttm -51.56 143.92 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -106.58 154.97 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.1 mt-10 -44.01 -60.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -46.51 -33.89 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 129' ' ' PHE . 13.4 tp -75.8 -33.64 60.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.1 mm? -64.25 -54.28 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -54.26 -53.29 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.39 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 62.6 mt -59.97 -34.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.483 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 48.4 m -68.66 -50.64 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.237 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -21.97 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -79.48 -36.03 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.7 mt -39.81 127.31 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.3 152.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.46 161.41 41.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 108.259 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 1.5 tp -143.01 152.54 42.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 28.3 m-85 -107.01 114.61 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -89.5 -171.06 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.46 139.43 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 68.43 39.19 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.8 m -110.2 118.34 36.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.91 116.09 28.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.74 -56.41 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.86 159.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -135.72 129.83 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.53 123.56 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.53 -36.66 3.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -73.51 158.74 86.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.06 32.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.8 t -119.4 112.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.82 -44.9 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.3 150.58 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.608 ' SD ' ' CE1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -96.31 150.17 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.8 mm? -117.9 124.34 48.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 13.9 m-85 -101.87 102.04 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.87 117.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -95.37 -48.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -165.6 128.7 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.18 -153.02 24.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.13 154.78 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD13 ' CG1' ' A' ' 112' ' ' VAL . 4.1 mp -152.81 171.03 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 8.6 pt-20 -122.7 128.04 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -101.18 137.07 40.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -145.25 157.2 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -142.31 160.48 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 t -179.64 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.98 149.34 23.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.63 -146.14 17.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.32 45.89 3.17 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 175.35 147.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -129.89 126.99 39.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.03 -163.52 32.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.36 152.98 2.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 0.759 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -85.04 115.4 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -80.82 94.44 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.21 145.71 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -155.41 171.39 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 12.7 tp -131.18 156.98 44.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 9.9 mt -123.18 164.38 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -136.35 -179.04 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.25 121.07 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.53 -40.58 1.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.63 145.49 53.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -118.2 175.07 5.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 111.031 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 91.7 m -131.2 169.68 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.74 31.73 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -59.14 -40.59 85.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.02 -27.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' MET . 51.6 tp -64.79 -44.52 89.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.46 -55.6 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -59.96 -46.79 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.576 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 31.7 t90 -41.56 -59.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 107.995 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.25 -56.69 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.0 -27.66 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -88.42 113.59 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.2 4.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -53.69 -42.75 68.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 89' ' ' TRP . 7.2 m -53.74 -59.56 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.983 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.49 -94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.39 177.11 8.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 62.25 113.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.89 157.7 85.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -121.55 145.56 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -73.06 159.2 33.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.86 -17.68 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.31 158.68 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 m -101.52 106.21 17.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.87 145.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 156.83 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.95 117.01 33.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -101.13 -26.52 13.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 t -136.26 161.73 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.94 111.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.479 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 24.7 t -102.43 141.1 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.07 107.2 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -159.59 175.29 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -113.74 171.52 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.48 160.14 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -148.94 119.75 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.7 tt -82.36 145.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.576 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -52.39 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -39.7 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.96 -37.09 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' O ' HG13 ' A' ' 125' ' ' VAL . 1.3 tt -64.6 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 4.4 ttpp -48.67 -42.15 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.14 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.45 -28.24 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.08 -57.34 6.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p -61.62 -55.93 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.963 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -37.92 -61.73 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.502 ' CD1' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -44.71 -49.01 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.06 98.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -146.42 -56.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.4 p -105.8 88.12 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 56.47 179.96 0.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 81.36 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.02 80.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 125.69 26.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.36 166.53 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 105.54 0.21 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -79.92 -51.58 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.95 146.71 47.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.48 -161.73 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.0 t 70.19 -60.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -84.44 45.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.25 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.4 m -96.0 158.94 33.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.32 17.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 81' ' ' PHE . 21.5 mt -65.37 -63.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.61 57.22 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.07 -53.15 5.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -105.67 14.91 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.471 ' CG ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -60.88 141.38 57.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . 38.1 t70 -109.72 141.95 41.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.93 -61.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -34.48 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' CD2' ' CZ ' ' A' ' 129' ' ' PHE . 8.3 tp -73.0 -37.6 66.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 17' ' ' MET . 4.1 mm? -56.94 -55.91 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.56 -50.17 74.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB2' ' CG2' ' A' ' 125' ' ' VAL . . . -47.34 -60.81 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 77.1 mt -56.52 -30.33 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -68.49 -48.03 65.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -19.16 49.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.75 -36.02 57.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.8 mt -47.32 127.6 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.56 156.39 42.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.1 m -150.23 159.74 44.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -142.45 155.34 45.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 52.1 m-85 -108.91 110.33 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -84.43 -171.08 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt 69.95 39.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -111.43 114.34 27.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.6 m-85 -99.26 105.38 17.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mp -54.45 -65.68 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.32 139.83 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.25 133.28 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.76 123.27 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.98 -34.45 4.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -95.71 157.11 36.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.34 110.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.82 -44.26 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.99 152.32 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 117' ' ' LEU . 7.1 ttt -96.8 148.66 22.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -115.13 127.97 55.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CZ ' ' HE1' ' A' ' 50' ' ' MET . 33.1 m-85 -110.25 103.44 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 mm -59.16 122.48 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -100.74 -49.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.36 126.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.04 -160.24 28.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.39 156.67 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD13 ' CG1' ' A' ' 112' ' ' VAL . 2.1 mp -159.38 171.48 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 8.6 pt-20 -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.2 t -100.73 136.53 40.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.33 150.7 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -138.43 137.85 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.464 HG22 ' CE2' ' A' ' 71' ' ' TYR . 46.6 p -93.54 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 49.36 94.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.09 127.89 9.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.73 47.76 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.43 -58.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -141.11 165.49 27.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -119.65 70.37 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -149.4 132.49 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' CE2' HG22 ' A' ' 63' ' ' THR . 10.5 m-85 -86.24 112.92 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.93 101.18 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -78.23 139.64 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m -143.7 172.29 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tp -123.68 152.31 42.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -117.6 162.77 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -131.78 -177.11 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.9 120.63 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.44 -33.89 3.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 137.49 51.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 p90 -119.1 155.25 31.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.0 m -113.95 172.25 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.41 34.71 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.8 64.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -57.05 -20.63 25.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD13 ' CB ' ' A' ' 119' ' ' ALA . 43.8 tp -74.79 -41.35 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 8.4 tp -56.62 -50.48 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -37.77 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.58 ' CZ2' ' HE2' ' A' ' 123' ' ' LYS . 27.8 t90 -42.03 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 107.947 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 123' ' ' LYS . . . -47.61 -49.53 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.23 -37.74 56.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.92 114.7 46.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.84 2.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -53.69 -38.87 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 m -48.94 159.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . 155.26 -159.11 28.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 96' ' ' GLY . 0.9 OUTLIER -141.51 149.08 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mt -47.12 157.15 0.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.572 ' HG3' ' CD1' ' A' ' 89' ' ' TRP . 18.4 Cg_endo -74.97 -179.73 5.27 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -120.43 123.19 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -79.92 127.63 32.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 103' ' ' THR . 0.8 OUTLIER -90.59 21.18 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 158.55 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.7 m -144.31 98.55 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 107' ' ' LYS . 99.0 t -119.84 164.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -155.46 150.29 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.48 110.57 21.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -97.06 -23.55 16.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -139.09 155.54 47.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.92 129.77 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -132.83 164.24 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.85 115.32 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.414 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.38 174.41 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.96 173.46 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.09 153.92 29.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -137.63 119.59 15.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.9 tt -83.98 143.8 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.447 ' CB ' HD13 ' A' ' 86' ' ' LEU . . . -67.06 -47.17 72.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -70.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' HB3' ' NE ' ' A' ' 28' ' ' ARG . 7.2 mm-40 -47.87 -28.67 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -65.57 -68.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.58 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -40.44 -47.5 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -50.13 -58.77 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 24' ' ' ALA . 1.4 p -68.35 -28.61 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.599 ' HA ' ' CD1' ' A' ' 129' ' ' PHE . . . -49.89 -36.53 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.73 -23.33 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 125' ' ' VAL . 5.7 mm-40 -76.44 -10.98 59.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.63 ' CZ ' ' CD2' ' A' ' 21' ' ' LEU . 3.6 m-85 -44.62 -49.51 10.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -46.13 157.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.42 149.93 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.2 m -130.0 141.31 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 104.13 -174.23 22.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.2 t -111.02 -57.9 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -57.75 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.08 -58.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.48 -68.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -54.75 100.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -154.29 101.76 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.75 174.4 28.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.6 t 60.46 64.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.13 87.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.34 42.85 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.5 t -78.36 140.73 60.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -34.06 4.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 81' ' ' PHE . 22.7 mt -41.43 -64.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 57.8 m-85 -80.28 60.09 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.97 -50.92 8.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -77.03 -36.03 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD2' ' A' ' 21' ' ' LEU . 1.8 mmt -37.44 149.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' LEU . 29.5 t0 -109.74 154.29 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.03 -58.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -51.15 -35.62 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' A' ' 129' ' ' PHE . 13.8 tp -70.57 -37.28 73.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -59.68 -51.3 70.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.38 -47.87 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.19 -52.04 29.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 28.0 mt -67.45 -24.28 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.4 t -72.94 -57.54 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 3.2 pt-20 -52.04 -27.24 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.04 -33.48 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.283 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -41.09 120.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -104.77 153.36 39.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 31' ' ' PRO . 13.2 m -150.8 154.01 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.3 154.22 44.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.0 m-85 -112.18 132.5 54.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -105.6 -168.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt 71.01 35.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.6 m -104.44 115.23 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 2.9 m-85 -99.35 106.91 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.8 m -133.57 151.78 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -132.27 171.43 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 103.33 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.19 -35.78 3.39 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.566 1.166 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -77.46 148.82 77.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.0 15.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 100' ' ' PRO . 16.7 t -117.74 115.5 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.21 -41.01 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.15 152.09 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.493 ' HE3' ' CE1' ' A' ' 52' ' ' PHE . 5.9 ttt -96.87 147.51 23.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.3 mm? -118.15 117.9 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' CE1' ' HE3' ' A' ' 50' ' ' MET . 77.5 m-85 -96.11 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.2 117.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -97.37 -52.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.47 96.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.18 -159.62 17.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.513 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.84 156.67 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 57' ' ' ARG . 3.2 mp -162.54 171.71 16.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 10.7 pt-20 -128.87 126.9 40.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -101.43 138.34 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.12 152.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -122.4 151.79 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.5 p -124.88 -51.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 110.424 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 162.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -159.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.92 38.4 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.18 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.5 m 65.0 99.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.33 79.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.24 171.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.0 137.76 49.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -94.49 96.84 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.44 147.44 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.4 m -155.24 171.59 19.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.75 154.4 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.58 159.05 24.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -130.72 -168.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -69.73 121.65 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.34 -30.38 4.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.93 140.54 40.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CE1' HD12 ' A' ' 13' ' ' LEU . 1.1 p90 -119.2 153.06 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.21 161.41 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 50' ' ' MET . . . 37.54 59.95 1.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -32.93 57.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -42.95 -28.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.542 HD12 ' CE3' ' A' ' 89' ' ' TRP . 23.7 tp -59.31 -52.78 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -45.65 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -57.96 -46.65 84.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.573 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 47.6 t90 -44.96 -59.18 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -58.05 -41.85 84.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.435 ' O ' ' NH1' ' A' ' 130' ' ' ARG . 0.4 OUTLIER -67.22 -10.45 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -113.3 107.71 53.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.55 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -58.58 -37.97 76.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.22 78.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 -59.3 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.8 t -65.51 150.84 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 67.37 110.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.2 157.87 67.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.99 160.58 40.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 p -117.34 127.25 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 144.03 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 p -101.09 23.31 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 151.28 14.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' A' ' 106' ' ' VAL . 17.9 m -106.67 155.86 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 105' ' ' THR . 40.8 t -157.27 145.8 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -139.57 150.47 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.61 114.57 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.86 -24.68 14.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.46 117.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 t -109.33 145.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.24 107.67 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.44 175.03 13.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -107.98 170.15 8.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.55 153.08 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -138.62 119.68 14.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.1 tt -83.69 141.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.573 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -61.92 -45.97 91.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.97 -38.62 37.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 126' ' ' ALA . 0.8 OUTLIER -61.47 -69.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.2 ttpp -45.39 -47.19 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 45.0 t80 -50.97 -60.93 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 129' ' ' PHE . 0.5 OUTLIER -65.23 -25.96 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 122' ' ' LEU . . . -68.93 -45.15 71.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 128' ' ' GLN . 2.9 m -82.58 -54.56 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 36.6 mm-40 -37.26 -55.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.53 ' CD2' HD13 ' A' ' 21' ' ' LEU . 5.0 m-85 -61.84 -55.76 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -38.73 152.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 66.62 129.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.8 t 70.05 84.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.51 -157.96 10.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.3 p -175.01 133.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 m 63.4 131.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' CD1' ' A' ' 81' ' ' PHE . 7.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -81.04 57.86 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.18 -47.67 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -83.55 -32.79 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.794 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -51.51 152.67 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.92 158.2 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.7 mt-10 -48.11 -54.94 11.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -49.66 -35.12 20.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD11 HG13 ' A' ' 125' ' ' VAL . 13.4 tp -74.38 -29.8 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.3 mm? -68.9 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -48.8 -49.98 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -53.24 -52.65 58.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.13 -36.49 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 30.2 m -64.73 -49.02 72.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.95 -21.62 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -32.92 51.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.0 mt -41.71 127.93 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -112.54 152.81 44.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -155.57 155.63 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.49 153.65 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 25.2 m-85 -104.97 139.16 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -116.55 -171.48 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.41 136.15 57.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 70.68 35.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -105.71 115.09 29.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.58 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 11.7 m-85 -91.72 120.2 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 40' ' ' LEU . 8.3 mp -85.46 -57.68 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 82' ' ' CYS . 13.3 m -130.2 150.19 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NE ' ' HB3' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -129.78 128.7 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -70.64 125.61 27.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.18 -30.73 9.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.89 158.85 49.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 t -116.63 120.89 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.05 -42.59 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 154.01 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 86' ' ' LEU . 3.9 ttt -99.9 150.06 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.551 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -119.21 119.54 34.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 83.4 m-85 -97.15 104.75 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 53' ' ' ILE . 15.7 mm -58.27 118.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.91 -48.85 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.63 109.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.2 -156.43 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -139.43 160.57 39.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 0.789 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.691 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -160.83 171.26 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.914 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.2 pt-20 -127.61 131.11 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.54 130.91 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 2.5 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -157.84 171.9 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 tp -123.56 153.88 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.1 mt -107.79 149.06 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.4 ptmt -83.7 -172.13 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 8.4 tp10 -79.39 136.39 36.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 9.28 75.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.68 130.17 39.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 p90 -112.01 144.55 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.494 ' HB3' HG21 ' A' ' 41' ' ' VAL . 74.4 m -113.27 168.2 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.22 33.33 0.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -23.77 45.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.69 -30.57 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 119' ' ' ALA . 25.8 tp -58.96 -47.74 84.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.627 HD12 HD11 ' A' ' 122' ' ' LEU . 6.4 tp -47.56 -51.35 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.72 -42.82 85.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.052 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 57.4 t90 -46.51 -58.33 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.37 -40.35 77.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -14.21 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -118.69 97.03 50.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 -177.13 3.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -121.19 158.88 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.4 t -85.38 163.14 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 p -88.34 -29.17 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 174.5 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -102.71 113.66 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.09 149.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 9.1 ttpt -137.39 171.68 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.08 111.91 23.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.914 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -95.03 -25.1 16.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -135.22 165.01 26.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.61 113.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 58' ' ' LEU . 14.7 t -105.03 152.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -129.14 107.11 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.45 174.93 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -111.11 172.9 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.59 20.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -145.97 122.05 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 121' ' ' GLU . 6.7 tt -87.63 143.02 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -64.01 -49.9 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.91 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.1 mm-40 -49.63 -37.43 28.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.627 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.42 -69.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.52 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -42.63 -48.17 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.77 -61.56 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.813 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -63.99 -27.24 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -67.39 -60.29 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.5 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CA ' ' HB2' ' A' ' 17' ' ' MET . 21.9 m-85 -83.38 54.84 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -52.56 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -101.77 17.28 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB2' ' CA ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.23 140.06 38.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.7 m-20 -109.67 151.33 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -45.82 -45.28 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -33.96 62.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 125' ' ' VAL . 7.3 tp -80.16 -28.49 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 3.9 mm? -68.6 -57.27 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.74 -53.56 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.63 -62.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.4 mt -54.11 -35.52 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 1.3 m -65.4 -44.39 87.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.5 -18.68 42.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 3.0 mpt_? -82.02 -34.98 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.0 mt -43.29 121.9 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 154.02 39.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.79 3.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.5 m -148.83 157.56 43.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 113' ' ' GLU . 1.5 tp -140.07 153.73 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 40' ' ' LEU . 21.1 m-85 -106.57 111.59 24.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 1.2 p -91.58 -168.51 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.77 139.3 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt 68.98 26.88 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -102.5 117.69 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.19 126.53 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 58' ' ' LEU . 6.8 mp -87.94 -51.45 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.14 157.58 37.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 156.17 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.55 104.52 16.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.97 -27.18 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -89.82 156.28 47.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' PRO . 45.2 t -111.46 103.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -75.02 -45.1 44.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.84 150.61 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.916 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.7 ttt -95.29 141.78 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -109.53 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -111.66 101.37 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.11 115.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.9 mm -90.26 -43.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 119.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.765 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.49 -162.27 35.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.598 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -131.28 155.39 47.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 HG11 ' A' ' 112' ' ' VAL . 4.0 mp -158.38 171.2 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.824 ' HB3' HD11 ' A' ' 109' ' ' LEU . 9.5 pt-20 -125.05 129.3 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -95.55 125.67 40.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.1 m -156.93 172.83 17.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.31 157.63 41.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.46 165.44 17.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -172.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 7.1 pt-20 -75.12 117.97 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.97 -19.36 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 135.04 34.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.5 p90 -113.65 170.03 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.9 m -127.9 164.7 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.85 50.95 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -72.64 -37.29 68.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.21 -35.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.021 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -53.87 -47.79 70.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 122' ' ' LEU . 1.4 tp -49.6 -54.77 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -64.13 -41.49 97.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.063 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 25.7 t90 -48.33 -54.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -61.57 -38.33 87.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.9 OUTLIER -74.19 -4.73 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -128.63 88.91 50.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.02 171.24 18.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.9 t -121.22 142.79 49.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -62.71 161.79 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.2 p -98.47 -13.55 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -154.7 170.52 21.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 m -110.01 104.31 13.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.83 153.21 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -137.29 169.9 17.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 35' ' ' THR . . . -109.31 112.84 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -95.84 -27.17 15.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -137.11 169.38 17.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.467 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.2 tt0 -60.73 122.47 14.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.765 HG13 ' HA3' ' A' ' 56' ' ' GLY . 12.1 t -125.78 132.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.8 tt0 -103.14 118.49 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.06 175.23 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -117.45 165.79 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.71 168.8 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -155.17 119.34 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -82.92 143.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.063 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.56 -50.47 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.509 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -46.34 -46.47 18.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 87' ' ' LEU . 1.4 tt -55.06 -53.42 56.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 0.5 OUTLIER -57.71 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -47.31 -60.25 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -62.95 -31.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -64.53 -50.38 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 81' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 1.045 ' CD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-85 -77.39 58.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -52.2 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -101.55 -14.49 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.2 113.13 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.59 154.51 39.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -47.39 -48.94 25.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -36.78 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 HG13 ' A' ' 125' ' ' VAL . 9.0 tp -75.5 -37.46 60.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.045 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.4 mm? -64.22 -55.72 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.46 -46.79 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -59.09 -36.63 75.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.521 ' O ' HD21 ' A' ' 117' ' ' LEU . 44.6 mt -77.43 -29.24 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 99.2 m -69.17 -55.72 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.249 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 4.1 pt-20 -50.59 -28.4 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -69.35 -35.59 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 117' ' ' LEU . 15.7 mt -39.97 126.33 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -105.94 154.26 39.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 107.6 2.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.6 m -150.68 158.37 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -142.69 151.95 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 19.8 m-85 -102.67 114.04 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.72 -168.32 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -71.96 144.0 49.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt 63.08 40.07 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -112.44 123.69 50.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.23 113.77 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 34' ' ' PHE . 9.6 mp -72.63 -58.85 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 104' ' ' ARG . 35.3 m -131.06 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 151.44 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -92.21 105.54 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.92 -27.95 6.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 158.24 43.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.5 Cg_endo -74.92 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 100' ' ' PRO . 21.2 t -113.33 115.56 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.31 -42.57 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 152.67 41.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.754 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.2 ttt -95.91 142.51 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.582 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -109.82 124.73 51.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.624 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.4 m-85 -104.57 101.49 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 53' ' ' ILE . 16.7 mm -60.75 119.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.2 mm -97.0 -48.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -168.12 145.06 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.22 -148.8 19.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.554 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.94 158.08 43.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -157.57 170.77 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.926 ' HB3' HD11 ' A' ' 109' ' ' LEU . 6.3 pt-20 -123.65 118.56 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -100.76 139.25 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.1 m -148.59 172.03 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tp -127.35 155.65 43.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 mt -124.96 158.72 32.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -137.07 178.85 6.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.18 127.72 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.23 -32.7 5.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.04 143.5 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -119.43 161.7 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.6 m -120.49 162.45 19.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.35 46.42 1.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.07 -36.19 82.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -41.38 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.103 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -52.02 -47.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 HD11 ' A' ' 122' ' ' LEU . 2.4 tp -51.51 -56.72 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -63.42 -43.24 98.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.026 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 41.4 t90 -42.41 -63.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.519 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.09 -50.19 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.53 -37.51 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -116.03 89.5 25.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.08 13.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.1 Cg_endo -75.0 168.93 23.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.95 128.08 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 162.61 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.0 p -111.82 -0.19 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -163.13 147.12 11.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.7 m -97.52 148.32 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -136.95 144.14 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.82 156.48 44.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.65 117.32 34.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -99.32 -24.15 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.616 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -136.14 167.06 21.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.0 120.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 110' ' ' THR . 27.6 t -112.18 151.01 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.97 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.76 174.7 13.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -113.35 173.95 6.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.0 165.02 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.34 119.89 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.4 tt -84.38 144.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.103 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.02 -50.42 66.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -67.52 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -49.2 -42.15 39.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.803 HD11 HD12 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -60.12 -63.62 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.519 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -47.22 -50.37 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -48.89 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -62.86 -28.68 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -66.17 -48.48 70.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 84' ' ' ASP . 53.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.415 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 19.0 m-85 -82.17 57.87 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -53.63 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -106.29 17.25 23.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -80.5 139.94 36.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' LEU . 49.8 m-20 -97.95 146.8 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.59 -40.06 5.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.24 -40.73 86.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 HG13 ' A' ' 125' ' ' VAL . 10.0 tp -65.65 -39.32 91.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -65.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 26' ' ' CYS . 39.0 t0 -44.44 -61.96 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -42.42 -64.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -51.62 -32.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.4 -65.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.33 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -45.24 -34.32 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mmt-85 -63.02 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 117' ' ' LEU . 20.1 mt -38.07 119.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 153.42 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.3 m -148.64 160.83 42.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -142.24 150.85 41.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 22.6 m-85 -104.59 110.98 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -85.52 -168.97 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.39 139.93 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt 68.73 29.46 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.1 m -97.2 113.85 25.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.79 114.94 26.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.8 mp -75.05 -59.45 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 104' ' ' ARG . 15.6 m -126.71 150.1 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.57 128.24 42.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 107.58 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.22 -24.5 6.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.147 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -99.75 159.04 31.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.85 104.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -74.47 -46.17 41.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.9 149.99 46.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.856 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.9 ttt -95.53 145.49 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mm? -111.01 129.03 56.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.712 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.0 m-85 -109.58 103.81 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 53' ' ' ILE . 17.7 mm -61.8 123.69 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.69 -45.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.69 117.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.04 -155.38 26.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -141.99 157.44 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -158.1 171.56 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.884 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.5 pt-20 -120.9 117.69 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -95.52 132.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 mpt_? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 p -157.0 170.39 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.69 154.52 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.1 mt -112.94 164.32 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -122.87 -172.51 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.13 125.71 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.67 36.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 123.51 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 13' ' ' LEU . 13.0 p90 -104.37 163.45 12.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.3 m -125.3 167.07 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.355 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.23 55.91 2.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.644 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -77.28 -27.85 53.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.72 -21.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.4 tp -72.5 -46.17 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.938 HD12 HD11 ' A' ' 122' ' ' LEU . 3.4 tp -52.56 -48.04 66.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -39.95 77.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.995 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 50.5 t90 -47.08 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -50.21 -49.76 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.3 mp -52.6 -29.84 27.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.27 111.72 57.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.03 8.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.5 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.457 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.02 164.31 33.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -121.16 125.18 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -70.09 143.42 52.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.3 p -103.89 24.85 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.45 151.94 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.3 m -116.44 136.59 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.6 t -135.05 154.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.167 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.56 157.78 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.96 113.17 26.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -96.24 -21.86 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 2.4 t -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.455 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.5 tt0 -68.19 113.03 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 58' ' ' LEU . 41.3 t -107.76 138.52 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.88 109.95 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.41 174.97 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 53.0 m-85 -113.87 169.4 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.49 165.19 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.85 121.92 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.8 tt -83.52 144.11 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.56 -50.18 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -39.98 -67.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.464 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.95 -44.73 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -50.62 -53.91 27.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.624 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -57.48 -51.93 67.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.26 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -51.37 -38.82 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -62.49 -68.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 44.5 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' HB3' HD21 ' A' ' 22' ' ' LEU . 5.1 m-85 -80.53 57.73 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -51.15 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -88.53 -27.62 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.644 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -48.61 161.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.48 156.33 18.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -53.13 -52.66 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -45.89 -35.06 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.644 HD23 ' CG ' ' A' ' 17' ' ' MET . 3.8 tp -72.65 -38.35 67.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 14' ' ' PHE . 4.4 mm? -62.13 -51.34 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.16 -52.5 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -58.73 -58.62 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.5 mt -53.99 -33.01 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 14.7 m -71.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -28.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -70.93 -37.32 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 117' ' ' LEU . 19.4 mt -38.2 119.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.97 152.3 38.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.778 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.7 m -148.76 160.64 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.43 153.4 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 30.5 m-85 -113.18 110.46 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -80.31 -168.23 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.85 140.87 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 3.8 mtmp? 70.78 30.08 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 5.5 m -97.01 120.86 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -102.48 105.31 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -65.45 -58.76 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 m -134.99 154.13 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.21 167.28 20.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.64 103.43 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.91 -34.06 4.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -78.57 153.12 78.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.95 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' PRO . 44.0 t -117.33 103.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.87 -45.63 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.54 149.57 42.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.728 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -95.84 148.38 22.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -117.07 117.55 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 64.7 m-85 -94.11 101.78 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 53' ' ' ILE . 30.9 mm -57.92 120.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -98.79 -54.61 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.84 127.7 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.15 -149.74 20.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.19 146.67 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 112' ' ' VAL . 4.4 mp -147.34 171.5 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.915 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.1 pt-20 -125.23 124.53 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -97.85 132.49 43.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 p -154.02 173.79 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.1 tp -134.97 154.95 51.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 80' ' ' ASP . 13.7 mt -119.25 158.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -172.14 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -71.01 121.85 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.4 -30.57 4.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.07 140.36 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.738 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.456 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.3 -174.62 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.36 163.53 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.86 40.31 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HA ' ' HE2' ' A' ' 50' ' ' MET . 0.3 OUTLIER -58.57 -40.24 82.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -44.67 -25.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.927 HD11 ' HB2' ' A' ' 119' ' ' ALA . 17.4 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.607 HD13 ' HE1' ' A' ' 50' ' ' MET . 0.8 OUTLIER -49.22 -50.25 39.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -40.15 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.962 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 34.4 t90 -51.57 -54.17 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -64.61 -31.83 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -81.74 3.39 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -133.95 97.34 15.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.74 9.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 163.63 34.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -120.38 130.69 54.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -65.91 159.78 24.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 p -116.25 31.86 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.8 152.09 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 106' ' ' VAL . 94.7 m -109.14 153.47 23.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 105' ' ' THR . 45.2 t -153.32 151.43 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -144.34 146.09 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -88.14 112.84 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.915 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -94.35 -22.17 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -138.18 169.37 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.17 112.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 110' ' ' THR . 13.5 t -106.94 142.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -124.27 110.92 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.4 174.9 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -110.38 166.08 11.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.2 156.2 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.75 120.04 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -85.18 143.27 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.962 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.09 -51.7 65.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -40.11 -69.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.475 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.6 -34.06 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.2 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -41.85 -45.67 3.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.29 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.73 -39.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -60.38 -52.55 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.768 ' CD1' HD11 ' A' ' 22' ' ' LEU . 22.1 m-85 -82.61 54.77 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -52.53 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -104.31 13.82 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mtp -94.28 118.26 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -62.84 157.59 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.83 -47.19 80.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -49.7 -29.84 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 125' ' ' VAL . 12.0 tp -73.52 -36.12 65.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.5 mm? -62.93 -61.87 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.62 -45.35 63.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -56.78 -56.8 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mt -62.7 -22.97 31.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 t -75.56 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.76 -26.26 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 1.6 mmt85 -71.52 -38.97 71.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 117' ' ' LEU . 18.8 mt -37.82 123.33 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -103.57 149.02 36.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 p -148.87 168.79 22.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.54 163.99 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 43.0 m-85 -124.9 112.68 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -79.13 -168.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.83 144.9 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 68.42 29.71 5.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 m -96.38 117.46 30.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 5.3 m-85 -99.02 104.38 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -62.39 -55.23 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.3 154.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -128.1 165.11 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.91 100.12 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.07 -30.16 5.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 15.7 p-10 -81.56 155.37 71.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 100' ' ' PRO . 22.5 t -120.0 101.74 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -46.83 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.45 153.07 50.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.598 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.3 ttt -97.71 145.81 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -112.05 130.16 55.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 19.8 m-85 -111.56 101.44 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 mm -55.3 125.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.8 mm -100.76 -44.7 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.11 98.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.08 -149.08 6.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.673 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -150.03 159.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.753 . . . . 0.0 110.277 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 112' ' ' VAL . 3.4 mp -162.35 171.99 16.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.827 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.6 pt-20 -119.09 126.79 52.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -101.53 127.06 48.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.8 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.774 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -161.34 169.84 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.45 154.66 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 mt -121.6 156.73 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -136.96 -179.21 5.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 125.21 18.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.79 -30.47 5.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.71 142.56 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -115.97 174.4 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.1 m -134.56 161.91 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 108.266 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.43 56.72 2.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.87 -29.77 44.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -45.74 -26.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 28.1 tp -65.57 -54.66 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 122' ' ' LEU . 10.3 tp -42.76 -54.56 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.19 -44.02 93.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.036 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 45.2 t90 -47.62 -62.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -54.52 -47.77 72.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.825 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -54.04 -27.61 33.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.93 112.64 62.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -29.69 7.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 159.14 41.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -120.6 125.76 48.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -67.41 153.2 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -107.17 24.64 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.29 153.13 15.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 106' ' ' VAL . 8.6 m -109.01 155.0 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' THR . 32.6 t -153.31 145.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.64 146.75 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.29 111.02 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.45 -26.97 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.5 t -134.85 155.91 49.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -40.23 112.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 58' ' ' LEU . 2.7 t -103.94 142.46 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -128.49 107.64 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.36 174.79 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 m-85 -111.12 161.31 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.83 160.03 14.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -143.74 119.8 10.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -82.12 142.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.036 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.85 -46.02 83.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 5.5 mm-40 -50.76 -34.42 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 90' ' ' ALA . 1.4 tt -63.61 -69.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.67 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 1.7 ttpp -40.68 -47.62 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.35 -67.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.602 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -56.3 -32.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.825 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -70.28 -23.81 62.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 38.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.53 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 37.6 m-85 -83.25 56.14 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.49 -53.36 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -87.85 -22.0 24.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.53 ' CG ' ' HA ' ' A' ' 14' ' ' PHE . 6.9 mmm -47.7 156.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.77 147.54 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.3 tt0 -47.7 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -45.93 -28.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 HG22 ' A' ' 125' ' ' VAL . 7.5 tp -64.31 -42.19 96.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 14' ' ' PHE . 3.2 mm? -55.93 -51.32 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.5 -42.37 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 117' ' ' LEU . 53.8 mt -57.97 -29.98 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 5.2 m -69.25 -53.89 17.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.67 -22.46 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.36 -33.65 58.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 17.7 mt -44.73 121.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -106.92 153.63 40.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.8 m -150.43 158.82 44.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -141.12 154.2 45.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 48.0 m-85 -113.15 110.93 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -79.78 -169.14 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.29 143.36 57.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt 65.52 38.15 5.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 m -103.56 120.08 40.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -97.47 113.63 25.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.23 -56.16 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.44 153.41 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 160.07 38.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.5 106.08 18.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.23 -35.35 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -83.22 153.62 66.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 t -119.59 107.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.32 -45.27 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -95.95 148.11 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -114.94 121.24 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.631 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -99.42 102.08 13.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -58.01 123.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.9 -51.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.79 124.48 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.723 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 151.11 -169.45 30.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -129.25 153.7 47.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.776 HD11 HG11 ' A' ' 112' ' ' VAL . 2.7 mp -155.61 171.89 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.0 pt-20 -123.56 133.89 53.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.9 t -110.23 135.03 51.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 73' ' ' ARG . 2.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -159.41 173.39 16.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tp -124.15 144.44 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 80' ' ' ASP . 35.3 mt -107.87 110.88 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -77.05 166.48 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.48 121.6 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.25 -37.94 2.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 76' ' ' LEU . 32.3 t70 -69.24 163.0 25.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -133.07 177.68 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 56.5 m -130.69 167.87 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.92 39.41 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -63.0 -25.41 68.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -48.95 -38.21 22.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.023 HD11 ' HB2' ' A' ' 119' ' ' ALA . 52.6 tp -50.34 -41.98 52.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 122' ' ' LEU . 0.8 OUTLIER -57.94 -50.28 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -37.85 88.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.878 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.9 t90 -48.64 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.416 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.69 -48.82 63.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -52.49 -23.54 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.55 106.31 55.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -28.05 9.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 163.03 36.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -119.8 127.13 52.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -77.14 122.63 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 t -87.01 44.29 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.6 152.21 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.9 m -117.96 137.59 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 49.7 t -134.19 152.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -144.36 156.43 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.91 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -83.34 -24.75 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.7 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.59 133.83 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.776 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -135.48 158.03 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.38 116.0 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.24 174.88 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -109.85 175.02 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 151.34 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.53 123.17 21.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.9 tt -85.74 144.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.023 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.69 -48.03 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 28' ' ' ARG . 3.8 mm-40 -48.65 -29.91 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -68.01 -69.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.673 ' CG ' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -41.08 -48.43 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -54.22 -69.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -53.41 -29.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.33 -38.25 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.641 HD11 ' CD2' ' A' ' 81' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' HB3' HD21 ' A' ' 22' ' ' LEU . 20.1 m-85 -88.23 50.75 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.9 -53.36 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -97.08 15.1 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 25' ' ' ILE . 89.9 mtp -100.94 137.57 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.8 158.15 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.4 mt-10 -56.78 -47.49 80.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -49.88 -25.77 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 125' ' ' VAL . 6.4 tp -78.76 -34.76 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 14' ' ' PHE . 1.5 mm? -59.34 -52.5 65.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.05 -53.76 44.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.635 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -48.08 -52.06 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' CE ' ' A' ' 17' ' ' MET . 67.2 mt -67.66 -30.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' LEU . 42.7 t -67.48 -66.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -28.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -67.85 -42.22 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 117' ' ' LEU . 15.8 mt -39.45 118.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 152.16 39.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.3 m -141.74 163.13 33.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.11 149.35 38.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 12.3 m-85 -116.77 134.38 54.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -115.55 -168.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.91 141.52 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? 68.97 38.35 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -113.08 120.98 43.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 29.2 m-85 -99.28 119.29 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 9.5 mp -82.78 -59.08 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.38 157.2 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -126.91 160.91 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 118.25 32.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.94 -30.89 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 12.2 p-10 -87.66 157.3 52.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 171.8 17.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.07 112.99 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -84.28 -43.29 14.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -141.72 147.03 36.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.503 ' HG2' ' CE1' ' A' ' 52' ' ' PHE . 17.3 ttt -96.36 142.73 28.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 116' ' ' ALA . 1.3 mm? -110.13 136.67 48.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 8.5 m-85 -112.64 101.01 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.5 mm -53.34 124.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 14.6 mm -98.81 -49.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -171.25 137.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 137.81 -161.09 25.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.165 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -128.83 163.35 25.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 57' ' ' ARG . 2.6 mp -157.55 171.43 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.2 pt-20 -118.7 121.17 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.7 t -96.82 132.7 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 m -151.19 174.11 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 59' ' ' GLU . 3.2 tp -131.27 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -118.87 158.15 26.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -131.14 -172.14 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 2.8 mt-10 -66.12 120.43 13.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.2 4.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 140.49 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.641 ' CD2' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -117.42 167.01 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -124.24 165.8 16.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.16 32.43 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -62.37 -29.87 70.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 103' ' ' THR . 6.2 mp0 -51.75 -34.68 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.6 tp -59.27 -55.6 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.505 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.74 -48.87 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -70.13 -44.56 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.798 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -42.74 -66.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 107.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -48.71 -48.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.42 -26.74 61.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' THR . 15.3 t0 -88.37 117.17 68.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.17 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.0 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -121.35 140.62 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -63.57 163.45 11.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.475 HG23 ' OE1' ' A' ' 85' ' ' GLU . 8.2 p -94.96 -33.76 12.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 153.0 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 40.2 m -86.13 114.27 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 46.9 t -107.15 148.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 2.8 ttpt -139.03 161.0 38.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.21 120.08 41.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -102.75 -27.87 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 t -129.45 156.04 44.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -42.82 133.1 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.418 HG12 ' HA3' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -140.12 165.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.64 124.6 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.27 175.25 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.12 163.98 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -105.26 160.54 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.41 119.78 6.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 121' ' ' GLU . 9.5 tt -83.62 146.37 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.989 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -68.18 -51.88 40.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -39.89 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.5 mm-40 -47.83 -29.56 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.505 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.49 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.652 ' CD ' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -44.01 -45.28 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.49 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.635 HG21 ' HB1' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.44 -29.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 9.9 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -76.44 54.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -53.45 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -81.04 -21.6 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.804 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.2 153.22 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 m-20 -110.12 154.15 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.91 -52.95 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -31.37 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.5 tp -77.35 -33.1 55.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.94 -51.24 68.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 34.2 t0 -63.64 -57.84 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -40.97 -60.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 HD21 ' A' ' 117' ' ' LEU . 72.6 mt -56.79 -36.98 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -59.29 -55.6 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.84 -23.47 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.712 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -74.34 -41.67 60.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' CD2' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -42.69 119.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.92 149.91 36.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 94.17 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.6 161.11 30.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.09 148.83 39.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 37.6 m-85 -109.37 112.25 24.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -82.9 -168.59 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.46 140.2 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 67.46 36.43 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 m -103.89 117.21 33.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 37.1 m-85 -93.04 117.77 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.73 -56.16 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.1 m -133.35 154.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.44 145.14 46.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -82.63 118.55 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 -35.83 3.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.5 156.29 35.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.28 16.68 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -110.57 106.71 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.99 -45.39 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.25 152.48 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.544 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.0 ttt -99.08 144.27 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 mm? -111.89 127.61 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.698 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -108.66 103.09 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.99 125.33 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.58 -51.11 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.36 108.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.96 -155.68 24.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -143.05 157.29 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -157.59 171.79 19.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.803 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.7 pt-20 -124.22 136.91 54.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.09 126.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.631 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' A' ' 61' ' ' VAL . 1.3 mpt_? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -164.13 173.48 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.57 155.84 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.73 166.0 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -95.03 -172.64 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -84.78 115.52 22.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.48 6.17 21.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.28 134.6 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -115.66 147.47 40.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 78.8 m -117.65 175.07 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.35 36.95 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -24.57 67.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.75 -28.92 52.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.092 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.1 tp -57.68 -55.71 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 122' ' ' LEU . 5.3 tp -44.46 -48.1 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.046 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.1 t90 -43.39 -59.05 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -55.26 -54.75 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.623 HD21 ' CE ' ' A' ' 17' ' ' MET . 0.9 OUTLIER -51.9 -21.63 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -101.47 107.81 52.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.65 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.72 2.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -121.5 146.75 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.2 p -70.62 163.25 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 p -91.42 -41.82 10.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -156.42 163.62 39.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 m -86.1 106.45 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 24.7 t -105.47 144.31 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 7.3 ttpt -132.31 165.0 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.64 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -95.88 -27.43 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 t -135.1 158.83 43.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -44.19 118.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 58' ' ' LEU . 12.7 t -109.51 145.2 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.35 105.75 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.16 174.95 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -111.52 171.65 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.28 166.27 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.514 HD21 HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -151.03 123.85 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.712 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.8 tt -87.9 143.7 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.092 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.5 -49.24 69.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 16.9 mm-40 -48.71 -37.73 19.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -61.11 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ttpp -50.89 -46.41 60.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.529 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -62.24 -29.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -56.54 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' A' ' 81' ' ' PHE . 63.7 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -82.66 58.12 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -52.63 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -86.77 -17.02 34.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.585 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -50.58 154.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.493 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.2 t70 -110.22 156.32 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.95 -50.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -58.44 -29.39 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.0 tp -75.01 -32.59 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.4 mm? -65.49 -55.32 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -42.46 91.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -60.28 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.9 -32.4 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 21.7 m -68.13 -65.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.15 -28.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 6.3 mmt85 -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 117' ' ' LEU . 18.0 mt -37.29 130.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -107.1 151.79 40.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.1 m -150.06 157.54 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.21 150.16 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 27.8 m-85 -108.08 112.6 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -82.48 -168.52 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.73 141.92 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 67.47 34.55 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 14.9 m -95.98 119.59 34.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.26 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.32 -56.98 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.3 m -134.32 154.07 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 1.6 mtm180 -135.36 138.92 43.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 125.25 25.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.69 -33.79 6.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -89.48 148.23 39.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 172.85 15.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.0 t -109.13 120.64 60.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.34 -40.64 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -142.65 149.92 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.858 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.7 ttt -97.39 144.87 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -115.15 117.57 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.723 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 79.5 m-85 -93.91 106.0 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.0 mm -60.73 121.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mm -99.83 -46.92 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.06 106.71 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.17 -168.5 41.05 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -133.69 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -155.87 171.41 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.745 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.8 pt-20 -122.45 131.22 53.77 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 130.39 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.6 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 61' ' ' VAL . 5.9 mtp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -158.57 172.32 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.72 157.02 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -114.07 170.01 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -118.67 -173.86 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.57 127.42 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.75 33.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 174.75 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -155.98 142.91 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.4 m -107.85 158.91 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.18 50.68 3.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -69.91 -33.85 72.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.43 -26.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 119' ' ' ALA . 37.8 tp -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 122' ' ' LEU . 9.2 tp -52.16 -50.86 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.37 -41.08 81.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.032 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.2 t90 -45.37 -56.43 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -57.83 -51.68 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.7 mp -52.21 -34.23 44.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 8.0 m-20 -75.98 126.34 87.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.51 2.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.5 Cg_endo -74.95 -169.05 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.55 146.43 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.6 p -69.91 163.7 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -89.72 -42.51 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.65 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -161.15 168.99 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.6 m -87.69 104.94 17.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.96 144.85 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.86 144.23 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -82.99 114.66 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -97.27 -25.71 15.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.6 t -134.62 158.81 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -41.81 122.77 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 58' ' ' LEU . 3.4 t -117.74 149.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -134.25 109.08 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.48 175.11 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.435 ' HB2' HD22 ' A' ' 29' ' ' LEU . 59.0 m-85 -111.97 162.5 15.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -103.83 156.08 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -143.58 121.57 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -84.16 143.12 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.08 -48.78 74.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -66.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -54.44 -35.56 63.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 87' ' ' LEU . 1.6 tt -63.44 -67.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.613 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -38.96 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -46.0 -68.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.547 HG22 HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.27 -28.14 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.39 -60.03 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 ' CD2' ' A' ' 81' ' ' PHE . 24.6 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.13 55.94 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.57 -53.18 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.443 HD21 HD21 ' A' ' 91' ' ' LEU . 12.7 p30 -81.26 -32.17 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.0 mtm -51.5 142.15 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.1 m-20 -105.46 158.09 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.99 -55.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -47.43 -42.45 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 125' ' ' VAL . 12.9 tp -67.43 -35.21 78.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD22 ' HE3' ' A' ' 17' ' ' MET . 4.6 mm? -65.08 -60.39 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -49.95 -46.81 52.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.04 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 65.1 mt -52.42 -26.17 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 20.2 m -76.33 -60.52 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.0 -25.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -73.7 -35.36 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 18.8 mt -38.95 126.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 152.37 39.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.24 2.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.6 m -150.64 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.35 154.96 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 16.3 m-85 -107.97 111.06 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.58 -170.76 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.89 137.86 58.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt 69.58 25.93 5.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.1 m -91.98 114.32 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 32.4 m-85 -90.84 113.39 25.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.14 -51.14 11.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' ARG . 24.3 m -141.31 154.66 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -131.13 140.24 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -78.51 110.27 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.62 -34.53 3.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 28.7 p-10 -87.42 158.15 52.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.02 23.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.533 ' O ' HD22 ' A' ' 99' ' ' LEU . 40.1 t -108.61 117.2 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -89.49 -42.71 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 151.32 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.733 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.5 ttt -97.54 142.65 29.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.595 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -112.66 119.01 36.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 80.1 m-85 -94.79 102.83 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 53' ' ' ILE . 10.4 mm -59.78 118.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 20.7 mm -98.27 -48.54 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.98 144.95 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.33 -155.6 21.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.91 157.99 44.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.1 mp -155.79 169.41 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.6 pt-20 -112.51 112.96 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.1 p -98.1 128.41 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' ARG . 3.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -154.2 172.99 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -129.01 145.24 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 75' ' ' LEU . 21.8 mt -101.66 158.51 16.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -120.37 179.82 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 125.46 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.08 -28.03 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.25 138.99 44.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.542 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -118.13 153.77 33.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.57 163.75 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.17 48.96 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -66.32 -39.03 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' ASP . 14.7 mm-40 -38.27 -33.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 24.7 tp -55.48 -57.42 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.935 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.04 -51.93 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.993 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.8 t90 -45.71 -62.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -49.91 -38.83 37.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -66.93 -29.77 69.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -92.51 114.42 62.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 47' ' ' VAL . 20.2 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -172.78 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.5 p -121.35 138.24 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 42' ' ' ARG . 24.6 p -58.36 163.19 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 p -88.91 -38.5 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -155.03 173.04 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -93.94 102.52 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 43.0 t -102.85 138.92 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.5 ttpt -135.25 145.56 47.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -90.41 128.08 36.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -112.0 -27.38 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -128.28 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -47.41 115.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 110' ' ' THR . 18.8 t -108.1 154.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.32 107.99 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.51 174.73 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.5 166.29 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.57 168.39 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.97 119.94 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -84.46 143.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.007 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -62.67 -50.28 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.7 mm-40 -51.56 -36.29 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.935 HD11 HD12 ' A' ' 87' ' ' LEU . 1.1 tt -61.72 -65.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.577 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.2 ttpp -48.12 -45.16 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -52.35 -62.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 21' ' ' LEU . 1.3 p -58.86 -29.09 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -67.91 -31.12 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 30.6 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.81 56.19 1.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.96 -52.12 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -88.75 -27.73 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.585 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.5 ttm -53.37 135.58 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -44.25 -53.94 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 mmm-85 -47.52 -36.65 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 HG13 ' A' ' 125' ' ' VAL . 12.1 tp -75.54 -31.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 17' ' ' MET . 3.9 mm? -64.45 -51.41 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -60.3 -55.76 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.57 -43.0 45.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -44.71 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.622 ' SG ' HD12 ' A' ' 29' ' ' LEU . 5.4 t -57.21 -50.48 72.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -25.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.796 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -76.93 -44.49 31.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' SG ' ' A' ' 26' ' ' CYS . 38.7 mt -38.65 104.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 158.46 43.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.373 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 109.31 2.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.1 m -147.43 153.32 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 151.18 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 49.6 m-85 -113.69 139.62 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -116.38 -173.18 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 137.74 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 69.89 40.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.2 m -113.93 126.87 55.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 20.0 m-85 -102.45 120.2 40.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 8.8 mp -85.78 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.14 153.99 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 125.5 42.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.01 128.5 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.67 -39.44 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -80.17 159.34 70.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 165.52 31.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.98 125.29 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -91.43 -38.75 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.05 149.52 38.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 1.003 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -95.9 143.07 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -111.2 127.32 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 32.0 m-85 -104.7 101.88 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -56.03 117.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mm -93.52 -55.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.64 128.84 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.31 -173.97 23.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 161.4 23.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 112' ' ' VAL . 2.7 mp -153.66 171.65 18.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.774 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.8 pt-20 -117.32 119.4 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 t -98.55 130.63 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -146.05 172.59 13.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 14.6 tp -129.51 157.68 41.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 4.6 mt -133.12 159.07 41.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -133.64 -179.69 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.85 124.76 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.18 -41.61 1.81 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.14 146.33 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -119.55 176.95 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.1 m -131.36 160.14 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.92 27.59 1.04 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -50.65 -36.94 37.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -45.28 -26.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 119' ' ' ALA . 49.2 tp -66.0 -43.64 87.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 122' ' ' LEU . 3.0 tp -54.94 -52.71 62.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.74 -38.35 86.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.18 . . . . 0.0 110.418 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.147 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.6 t90 -46.06 -64.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 107.955 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 123' ' ' LYS . . . -51.36 -53.77 33.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -27.06 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 14.0 t70 -87.55 117.72 68.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.04 5.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.05 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -121.73 155.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 t -82.23 163.76 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -87.15 -38.07 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 159.82 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.7 m -83.75 104.9 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.52 145.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 4.7 ttpt -135.12 164.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -107.47 117.81 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -103.08 -26.09 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -134.02 156.61 47.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -41.78 114.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -115.5 151.9 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.23 118.39 20.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.249 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.69 175.1 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.71 173.85 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.32 161.03 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.578 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -154.16 119.41 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 28' ' ' ARG . 8.9 tt -82.76 144.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.147 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -68.68 -49.75 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -39.79 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.1 mm-40 -41.87 -46.74 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -52.3 -59.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -49.93 -53.48 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -51.82 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -55.92 -31.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' LEU . . . -68.26 -49.17 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 81' ' ' PHE . 27.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' CE2' ' A' ' 52' ' ' PHE . 70.9 m-85 -79.55 55.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -52.95 6.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -72.35 -31.86 65.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.554 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -44.69 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 22' ' ' LEU . 37.9 t70 -109.77 157.18 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.49 -59.17 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -51.63 -33.67 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 125' ' ' VAL . 6.7 tp -72.11 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.6 mm? -64.7 -61.72 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -52.01 -44.39 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -54.83 -52.4 62.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.37 -21.89 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' HD12 ' A' ' 29' ' ' LEU . 51.1 t -74.14 -53.94 8.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 1.8 pt-20 -54.69 -25.93 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -70.7 -33.76 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' SG ' ' A' ' 26' ' ' CYS . 18.7 mt -40.3 116.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -94.11 140.15 22.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.03 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 m -151.15 168.35 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.68 165.52 27.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.232 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 31.0 m-85 -127.26 112.44 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -81.4 -168.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.43 143.26 50.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 66.78 37.66 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 16.8 m -106.29 114.96 29.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.7 m-85 -91.7 107.28 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.76 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.25 157.58 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 4.0 mtp180 -134.63 171.21 14.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -99.98 108.06 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.28 -19.16 8.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 19.7 p-10 -99.55 152.38 37.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.91 170.63 19.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' PRO . 15.2 t -112.47 109.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.79 -44.97 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.7 151.14 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB2' HD23 ' A' ' 86' ' ' LEU . 6.4 ttt -98.54 145.68 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -113.19 124.73 53.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 81.6 m-85 -105.48 101.3 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.18 123.37 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.8 mm -100.92 -47.79 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.21 103.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.21 -166.6 38.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.41 157.96 43.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -159.39 171.21 20.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.849 ' CD ' HD21 ' A' ' 109' ' ' LEU . 9.3 pt-20 -124.63 120.95 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.3 t -96.31 128.97 43.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 3.3 t -157.85 173.76 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' OG ' ' A' ' 74' ' ' SER . 6.0 tp -125.2 149.39 48.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.4 mt -112.63 114.65 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -174.67 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.75 120.62 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.41 -26.07 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.85 157.47 35.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.32 176.65 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.44 164.49 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.85 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -12.06 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.46 -33.95 70.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.6 tp -54.67 -57.18 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 122' ' ' LEU . 1.7 tp -42.34 -51.58 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.17 -42.78 88.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.903 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t90 -49.28 -56.62 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.021 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.87 -58.63 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -53.83 -23.65 13.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -73.58 115.43 41.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.89 5.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.8 p -120.77 133.94 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.657 HG23 ' NE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -108.42 -13.5 14.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.657 ' NE ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -156.51 160.97 40.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m -99.84 113.29 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.7 t -107.57 152.14 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -147.08 150.1 34.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.01 111.92 23.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.849 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.49 -27.62 15.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 1.2 t -133.17 164.0 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.51 119.83 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 58' ' ' LEU . 2.5 t -112.28 154.25 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -141.01 106.46 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.34 175.17 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.31 166.39 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.87 160.86 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -146.07 122.47 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.3 tt -84.85 143.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -66.09 -49.86 66.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.15 -66.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.513 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -51.96 -38.15 55.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.965 HD11 HD12 ' A' ' 87' ' ' LEU . 1.2 tt -61.28 -69.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -45.18 -48.08 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -51.1 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.675 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -57.43 -35.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 81' ' ' PHE . 35.3 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -77.95 56.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -49.36 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -82.98 -32.67 26.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.892 ' HG2' HD23 ' A' ' 21' ' ' LEU . 2.6 mtm -51.61 145.75 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.13 158.03 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -45.31 -57.71 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.9 -34.23 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.892 HD23 ' HG2' ' A' ' 17' ' ' MET . 9.4 tp -76.5 -30.96 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.9 mm? -65.24 -57.12 9.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.78 -50.38 70.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -50.5 -52.18 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.683 HG13 HG11 ' A' ' 125' ' ' VAL . 25.9 mt -64.72 -42.75 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 6.8 t -53.06 -51.39 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -25.64 15.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -72.75 -39.98 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 117' ' ' LEU . 16.3 mt -43.49 114.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.65 154.69 37.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.45 163.48 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.65 165.18 28.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.576 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 34.8 m-85 -119.69 111.05 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -87.34 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 141.92 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 71.62 14.13 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -90.73 113.62 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 21.9 m-85 -94.7 124.93 39.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.0 -55.42 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' ARG . 17.9 m -134.34 150.57 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.48 165.15 22.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 123.67 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.58 -36.42 4.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -87.8 152.41 51.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.57 118.1 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -88.94 -41.33 12.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.77 153.86 46.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.862 ' HB2' HD23 ' A' ' 86' ' ' LEU . 16.1 ttt -106.02 140.45 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.3 mm? -110.74 130.58 55.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 8.1 m-85 -106.82 101.18 10.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.36 121.41 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 12.2 mm -97.85 -43.92 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -173.62 104.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.44 -159.24 24.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -142.49 157.06 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -160.12 171.87 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.961 ' CD ' HD21 ' A' ' 109' ' ' LEU . 12.7 pt-20 -125.09 129.67 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -98.75 136.77 38.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -157.12 173.61 16.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tp -130.37 154.19 47.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD22 ' OD2' ' A' ' 80' ' ' ASP . 4.4 mt -121.54 166.71 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.98 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 123.63 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.34 -41.71 1.64 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -68.99 143.17 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.65 165.08 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.58 159.95 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.02 47.99 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -32.78 73.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -38.12 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.119 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.0 tp -53.85 -48.34 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 122' ' ' LEU . 7.1 tp -50.14 -46.5 53.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -72.51 -38.51 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.05 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.1 t90 -48.11 -58.35 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.651 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -60.14 -44.65 94.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -61.89 -14.56 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -106.61 109.81 63.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.57 7.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 176.09 10.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.28 143.72 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 163.64 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -92.78 -33.19 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -152.8 164.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.7 m -93.15 112.09 23.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 58' ' ' LEU . 28.1 t -111.49 143.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.697 ' O ' HD23 ' A' ' 58' ' ' LEU . 4.7 ttpt -132.0 164.21 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.07 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.961 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -99.25 -23.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -135.59 155.09 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.98 121.52 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 58' ' ' LEU . 3.1 t -114.3 152.33 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 33' ' ' LEU . 24.0 mt-10 -132.53 106.38 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.576 ' HB3' ' HE2' ' A' ' 34' ' ' PHE . . . -160.36 174.89 13.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.56 173.88 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -108.77 168.38 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.4 121.03 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.2 tt -85.76 143.11 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.119 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -63.4 -48.62 77.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.9 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.469 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -48.11 -33.99 9.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 87' ' ' LEU . 1.3 tt -65.69 -69.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.3 ttpp -44.47 -43.99 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.47 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.834 ' O ' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -60.55 -25.8 35.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -74.04 -38.6 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.845 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.1 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -76.35 57.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -43.81 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.37 -27.82 38.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.29 157.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.2 m-20 -107.58 156.99 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.02 -56.64 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -51.29 -33.08 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 125' ' ' VAL . 7.9 tp -77.47 -31.15 53.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -65.64 -57.32 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.59 -49.49 74.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.25 -64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' O ' HD21 ' A' ' 117' ' ' LEU . 64.8 mt -53.16 -33.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.2 m -64.92 -60.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -32.92 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.65 -40.02 93.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 117' ' ' LEU . 16.9 mt -40.66 121.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.36 148.8 35.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.56 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -155.64 164.47 38.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.01 152.95 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.8 m-85 -102.63 119.34 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -95.23 -169.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.09 141.01 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? 69.07 30.22 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -105.47 114.17 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 14.5 m-85 -93.61 120.73 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -78.52 -51.36 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 12.0 m -142.2 149.38 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 105' ' ' THR . 17.3 mtm180 -130.16 160.19 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 105.23 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.34 -29.88 5.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.77 156.75 61.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.366 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.42 HG12 HD22 ' A' ' 86' ' ' LEU . 38.3 t -117.88 103.1 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.84 -47.04 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.35 153.98 43.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -96.54 149.23 22.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.2 mm? -118.9 118.2 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.735 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 62.2 m-85 -95.12 108.12 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 53' ' ' ILE . 12.8 mm -63.36 120.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.1 mm -100.58 -48.44 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.68 131.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.01 -148.26 18.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.36 145.36 29.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.9 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -147.74 170.48 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.916 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.5 pt-20 -121.87 119.13 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 104' ' ' ARG . 96.7 p -98.63 136.63 38.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -144.97 173.17 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.16 157.28 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -124.47 170.82 10.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -127.42 -171.93 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.36 121.73 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.53 -25.52 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.43 139.56 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.845 ' CE2' HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -115.82 170.23 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' HB2' HG21 ' A' ' 41' ' ' VAL . 1.4 p -120.42 156.6 31.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 108.277 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.31 53.58 2.74 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.9 p-10 -67.39 -19.78 65.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.68 -38.51 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.3 tp -50.19 -46.57 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.82 HD13 ' CE ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -51.62 -50.06 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.07 -40.87 82.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.039 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.0 t90 -45.75 -56.95 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.77 -50.16 71.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -56.83 -25.92 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -90.59 114.04 59.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 169.08 23.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.37 134.98 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -75.21 154.9 37.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.07 -11.28 14.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.568 ' HG2' HG23 ' A' ' 106' ' ' VAL . 3.7 ttm180 -116.91 147.07 42.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 22.3 m -115.33 103.95 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 104' ' ' ARG . 38.3 t -105.83 155.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -141.61 161.66 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.37 114.85 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.95 -23.86 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.4 t -136.38 165.86 24.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -54.14 114.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.9 HG11 HD11 ' A' ' 58' ' ' LEU . 13.7 t -107.0 144.19 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.86 108.38 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.7 174.91 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.95 163.88 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -105.41 165.07 11.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.87 119.39 6.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -81.6 143.81 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.64 -49.4 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.52 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -47.16 -31.43 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 90' ' ' ALA . 1.5 tt -69.08 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.2 ttpp -44.31 -47.59 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.92 -64.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.14 -27.8 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.31 -58.14 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.937 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 81' ' ' PHE . 90.9 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -81.83 53.16 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -53.0 6.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -86.12 -17.11 35.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.839 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -52.96 153.13 3.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -109.94 151.51 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.83 -50.02 5.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -55.21 -36.49 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.3 tp -70.92 -35.27 72.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.46 -58.37 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -54.46 -53.81 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.77 -68.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.4 mt -48.85 -30.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.14 -59.17 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -45.76 -30.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 9.5 mmp_? -66.22 -41.49 90.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.9 mt -39.53 111.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 151.47 37.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.24 2.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.9 m -145.62 163.93 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.87 164.56 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 39.2 m-85 -124.9 110.06 13.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -76.86 -168.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -71.22 146.99 48.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 62.21 33.91 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -106.05 113.8 27.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.19 119.41 31.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp -78.41 -58.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.58 146.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.96 176.8 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 108.27 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -22.12 10.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -91.07 152.43 44.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.06 165.74 30.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.38 105.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -78.78 -44.76 22.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.64 150.7 45.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.746 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.1 ttt -95.61 138.55 33.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mm? -106.72 131.48 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -113.33 101.44 9.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.593 HD11 HD13 ' A' ' 58' ' ' LEU . 17.6 mm -53.98 120.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -99.31 -50.14 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.04 99.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.74 -154.55 12.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -146.32 159.6 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.705 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -160.55 170.06 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.882 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -118.12 116.58 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 5.1 p -105.89 145.64 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.4 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 6.6 mpt_? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 t -144.14 174.05 11.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -134.44 147.14 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.38 122.3 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -96.1 -172.17 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -66.55 126.84 30.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.43 -34.3 4.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.2 156.06 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -138.06 166.95 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 42.08 44.33 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -69.68 -32.97 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -46.16 -32.93 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.025 HD11 ' HB2' ' A' ' 119' ' ' ALA . 31.0 tp -56.46 -50.64 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 122' ' ' LEU . 1.8 tp -48.5 -48.47 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -39.06 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.081 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -52.26 -52.48 52.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -63.33 -48.44 77.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.47 -37.77 57.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.64 71.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.1 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 169.25 23.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -120.6 127.78 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 p -76.9 130.23 37.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 103' ' ' THR . 1.1 t -93.22 51.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 151.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' SER . 43.7 m -116.22 132.15 56.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.445 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.4 t -131.6 151.37 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -143.29 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.66 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -102.83 -22.31 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' GLU . 6.9 t -135.56 152.18 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' THR . 5.7 tt0 -38.31 116.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 58' ' ' LEU . 5.1 t -105.02 154.56 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.0 107.16 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.2 174.91 13.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -108.21 169.98 8.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 168.55 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -156.83 119.95 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.0 tt -83.9 143.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.081 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -51.28 62.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.7 mm-40 -48.35 -40.48 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -58.3 -61.76 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 1.7 ttpp -50.31 -48.32 55.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -51.66 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.699 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.06 -29.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -70.74 -52.99 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 81' ' ' PHE . 65.1 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CE1' HD11 ' A' ' 87' ' ' LEU . 29.4 m-85 -83.01 53.23 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 -52.61 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -78.51 -16.8 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.795 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.35 146.79 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.51 157.54 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -45.53 -54.56 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -54.17 -30.5 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' MET . 3.3 tp -74.03 -35.82 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.19 -47.95 83.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.38 -53.22 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.14 -58.83 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.64 -28.48 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.21 -62.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.44 -25.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -70.52 -35.35 73.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 18.6 mt -40.69 115.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 153.07 37.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.16 155.75 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.38 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 17.1 m-85 -119.17 123.54 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.7 -175.69 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.82 135.28 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt 71.04 35.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.685 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 12.6 m -99.51 114.45 27.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 107' ' ' LYS . 13.2 m-85 -98.13 109.74 22.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 3.7 mp -75.58 -46.68 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 104' ' ' ARG . 4.1 m -136.96 142.99 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.83 139.61 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.64 120.83 20.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.77 -41.25 1.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 45' ' ' ASP . 24.9 p30 -92.4 150.7 40.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.23 25.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.66 119.31 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -89.31 -41.77 11.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.28 156.79 44.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.502 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.41 143.73 31.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 116' ' ' ALA . 2.0 mm? -113.58 119.13 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 41.9 m-85 -97.15 114.9 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 127.2 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.2 mm -105.72 -50.52 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.58 110.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.6 -159.53 32.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.45 160.91 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.751 HD11 HG11 ' A' ' 112' ' ' VAL . 2.4 mp -157.92 171.6 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.7 pt-20 -120.5 118.34 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -95.28 136.51 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CG ' ' A' ' 73' ' ' ARG . 2.5 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 61' ' ' VAL . 4.5 mtm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.6 m -154.89 171.56 19.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.3 tp -125.87 155.4 41.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.83 164.92 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -100.93 -176.97 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.87 123.97 27.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 13.14 45.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.69 171.24 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -147.08 154.09 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.584 ' SG ' HG21 ' A' ' 106' ' ' VAL . 97.8 m -123.36 166.97 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' CYS . . . 37.38 51.05 1.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -12.98 56.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -59.22 -15.51 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.2 tp -70.61 -53.88 14.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -47.69 -63.02 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -53.2 -47.57 68.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.817 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 33.7 t90 -45.37 -52.8 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.028 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.497 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.79 -55.45 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.93 -32.66 33.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.9 OUTLIER -79.07 114.34 43.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -25.44 11.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -117.46 125.92 51.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -60.71 151.48 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -115.12 13.57 16.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.53 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.71 152.41 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.8 m -110.42 149.79 29.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.584 HG21 ' SG ' ' A' ' 82' ' ' CYS . 55.7 t -142.74 160.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 2.7 ttpt -151.86 147.47 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.12 116.39 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -96.28 -19.99 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -141.61 173.37 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 110' ' ' THR . 0.9 OUTLIER -60.49 119.42 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.751 HG11 HD11 ' A' ' 58' ' ' LEU . 2.4 t -122.27 128.14 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.16 115.71 30.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.8 174.84 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 72.3 m-85 -109.74 167.35 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.48 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -116.1 152.54 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -132.21 119.87 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.435 ' CG2' ' HG3' ' A' ' 121' ' ' GLU . 7.3 tt -82.76 142.84 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.855 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -58.69 -52.94 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -68.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 118' ' ' ILE . 3.7 mm-40 -51.8 -38.1 54.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -62.03 -69.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.4 ttpp -47.61 -43.13 25.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.85 -64.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -59.13 -36.64 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.49 -65.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.036 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -79.76 60.36 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.56 -53.82 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -86.28 -29.76 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.768 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.6 ttm -51.56 143.92 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -106.58 154.97 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.1 mt-10 -44.01 -60.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -46.51 -33.89 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.768 HD23 ' CG ' ' A' ' 17' ' ' MET . 13.4 tp -75.8 -33.64 60.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.1 mm? -64.25 -54.28 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -54.26 -53.29 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.39 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 62.6 mt -59.97 -34.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 48.4 m -68.66 -50.64 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.237 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -21.97 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -79.48 -36.03 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 117' ' ' LEU . 19.7 mt -39.81 127.31 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.3 152.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.46 161.41 41.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 108.259 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 1.5 tp -143.01 152.54 42.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 28.3 m-85 -107.01 114.61 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -89.5 -171.06 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.46 139.43 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 68.43 39.19 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.8 m -110.2 118.34 36.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.91 116.09 28.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.74 -56.41 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG11 ' CA ' ' A' ' 83' ' ' GLY . 29.8 m -135.86 159.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -135.72 129.83 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.53 123.56 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.53 -36.66 3.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -73.51 158.74 86.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 165.06 32.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 86' ' ' LEU . 47.8 t -119.4 112.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.82 -44.9 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.3 150.58 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -96.31 150.17 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.8 mm? -117.9 124.34 48.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 13.9 m-85 -101.87 102.04 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.87 117.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -95.37 -48.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -165.6 128.7 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.18 -153.02 24.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.13 154.78 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.1 mp -152.81 171.03 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.6 pt-20 -122.7 128.04 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -101.18 137.07 40.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -155.41 171.39 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 58' ' ' LEU . 12.7 tp -131.18 156.98 44.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 9.9 mt -123.18 164.38 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -136.35 -179.04 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.25 121.07 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.53 -40.58 1.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.63 145.49 53.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -118.2 175.07 5.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 111.031 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 91.7 m -131.2 169.68 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.472 ' CA ' HG11 ' A' ' 41' ' ' VAL . . . 38.74 31.73 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.483 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.14 -40.59 85.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.02 -27.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.971 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.6 tp -64.79 -44.52 89.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -51.46 -55.6 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -59.96 -46.79 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.008 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 31.7 t90 -41.56 -59.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 107.995 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.25 -56.69 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.1 mm? -52.0 -27.66 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -88.42 113.59 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.2 4.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -121.55 145.56 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -73.06 159.2 33.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.86 -17.68 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.31 158.68 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 m -101.52 106.21 17.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.87 145.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 156.83 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.95 117.01 33.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -101.13 -26.52 13.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -136.26 161.73 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.94 111.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 110' ' ' THR . 24.7 t -102.43 141.1 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.07 107.2 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.59 175.29 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -113.74 171.52 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.48 160.14 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.94 119.75 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.7 tt -82.36 145.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.008 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -52.39 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -39.7 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.4 mm-40 -46.96 -37.09 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.6 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 4.4 ttpp -48.67 -42.15 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.14 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.689 HG13 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.45 -28.24 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -68.08 -57.34 6.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.963 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.823 ' HB3' HD23 ' A' ' 87' ' ' LEU . 21.5 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.61 57.22 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.07 -53.15 5.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -105.67 14.91 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.639 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -60.88 141.38 57.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . 38.1 t70 -109.72 141.95 41.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.93 -61.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -34.48 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 125' ' ' VAL . 8.3 tp -73.0 -37.6 66.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -56.94 -55.91 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.56 -50.17 74.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.34 -60.81 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 77.1 mt -56.52 -30.33 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -68.49 -48.03 65.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -19.16 49.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.75 -36.02 57.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 117' ' ' LEU . 13.8 mt -47.32 127.6 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.56 156.39 42.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.1 m -150.23 159.74 44.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -142.45 155.34 45.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 52.1 m-85 -108.91 110.33 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -84.43 -171.08 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt 69.95 39.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 15.7 m -111.43 114.34 27.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.6 m-85 -99.26 105.38 17.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -54.45 -65.68 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.32 139.83 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.25 133.28 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.76 123.27 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.98 -34.45 4.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -95.71 157.11 36.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.34 110.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.82 -44.26 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.99 152.32 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.893 ' HB2' HD23 ' A' ' 86' ' ' LEU . 7.1 ttt -96.8 148.66 22.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.588 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -115.13 127.97 55.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 33.1 m-85 -110.25 103.44 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 mm -59.16 122.48 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -100.74 -49.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.36 126.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.586 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 152.04 -160.24 28.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.39 156.67 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 112' ' ' VAL . 2.1 mp -159.38 171.48 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.856 ' CD ' HD21 ' A' ' 109' ' ' LEU . 8.6 pt-20 -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 76' ' ' LEU . 45.2 t -100.73 136.53 40.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m -143.7 172.29 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tp -123.68 152.31 42.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 60' ' ' SER . 14.3 mt -117.6 162.77 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -131.78 -177.11 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.9 120.63 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.44 -33.89 3.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 137.49 51.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 p90 -119.1 155.25 31.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.0 m -113.95 172.25 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.41 34.71 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.8 64.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -57.05 -20.63 25.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.996 HD11 ' HB2' ' A' ' 119' ' ' ALA . 43.8 tp -74.79 -41.35 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.823 HD23 ' HB3' ' A' ' 13' ' ' LEU . 8.4 tp -56.62 -50.48 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -37.77 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.747 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 27.8 t90 -42.03 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 107.947 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 123' ' ' LYS . . . -47.61 -49.53 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -52.23 -37.74 56.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.92 114.7 46.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.84 2.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.571 ' HG3' ' CD1' ' A' ' 89' ' ' TRP . 18.4 Cg_endo -74.97 -179.73 5.27 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -120.43 123.19 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -79.92 127.63 32.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 103' ' ' THR . 0.8 OUTLIER -90.59 21.18 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 158.55 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.7 m -144.31 98.55 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 107' ' ' LYS . 99.0 t -119.84 164.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -155.46 150.29 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.48 110.57 21.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.856 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -97.06 -23.55 16.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -139.09 155.54 47.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.92 129.77 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.83 164.24 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.85 115.32 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.38 174.41 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.96 173.46 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.09 153.92 29.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -137.63 119.59 15.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.9 tt -83.98 143.8 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.996 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -67.06 -47.17 72.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -70.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.2 mm-40 -47.87 -28.67 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -65.57 -68.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -40.44 -47.5 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -50.13 -58.77 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.871 HG22 HD12 ' A' ' 21' ' ' LEU . 1.4 p -68.35 -28.61 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -49.89 -36.53 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 81' ' ' PHE . 22.7 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 57.8 m-85 -80.28 60.09 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.97 -50.92 8.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -77.03 -36.03 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.57 ' SD ' HD23 ' A' ' 21' ' ' LEU . 1.8 mmt -37.44 149.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' LEU . 29.5 t0 -109.74 154.29 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.03 -58.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -51.15 -35.62 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.658 HD11 HG13 ' A' ' 125' ' ' VAL . 13.8 tp -70.57 -37.28 73.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.68 -51.3 70.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.38 -47.87 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.19 -52.04 29.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 28.0 mt -67.45 -24.28 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 29' ' ' LEU . 9.4 t -72.94 -57.54 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 3.2 pt-20 -52.04 -27.24 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.04 -33.48 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.283 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 115' ' ' PHE . 18.3 mt -41.09 120.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -104.77 153.36 39.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 31' ' ' PRO . 13.2 m -150.8 154.01 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.3 154.22 44.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.0 m-85 -112.18 132.5 54.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -105.6 -168.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt 71.01 35.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 66.6 m -104.44 115.23 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 2.9 m-85 -99.35 106.91 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.8 m -133.57 151.78 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -132.27 171.43 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 103.33 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.19 -35.78 3.39 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.566 1.166 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -77.46 148.82 77.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.02 173.0 15.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 100' ' ' PRO . 16.7 t -117.74 115.5 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.21 -41.01 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.15 152.09 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.718 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.9 ttt -96.87 147.51 23.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.3 mm? -118.15 117.9 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 77.5 m-85 -96.11 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 53' ' ' ILE . 5.0 mm -56.2 117.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -97.37 -52.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.47 96.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.18 -159.62 17.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.84 156.67 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 57' ' ' ARG . 3.2 mp -162.54 171.71 16.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.951 ' CD ' HD21 ' A' ' 109' ' ' LEU . 10.7 pt-20 -128.87 126.9 40.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -101.43 138.34 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.4 m -155.24 171.59 19.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.75 154.4 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.58 159.05 24.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -130.72 -168.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -69.73 121.65 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.34 -30.38 4.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.93 140.54 40.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -119.2 153.06 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.21 161.41 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 50' ' ' MET . . . 37.54 59.95 1.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -32.93 57.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -42.95 -28.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 119' ' ' ALA . 23.7 tp -59.31 -52.78 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -45.65 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -57.96 -46.65 84.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 1.096 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 47.6 t90 -44.96 -59.18 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -58.05 -41.85 84.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -10.45 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -113.3 107.71 53.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.55 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.99 160.58 40.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 p -117.34 127.25 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 144.03 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 p -101.09 23.31 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 151.28 14.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 106' ' ' VAL . 17.9 m -106.67 155.86 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 105' ' ' THR . 40.8 t -157.27 145.8 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -139.57 150.47 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -88.61 114.57 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.951 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.86 -24.68 14.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.9 t -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.46 117.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.61 HG11 HD11 ' A' ' 58' ' ' LEU . 7.4 t -109.33 145.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.24 107.67 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.44 175.03 13.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 29' ' ' LEU . 81.7 m-85 -107.98 170.15 8.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -114.55 153.08 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -138.62 119.68 14.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -83.69 141.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 1.096 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -61.92 -45.97 91.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 118' ' ' ILE . 4.8 mm-40 -49.97 -38.62 37.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -61.47 -69.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.2 ttpp -45.39 -47.19 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.97 -60.93 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.658 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -65.23 -25.96 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -68.93 -45.15 71.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -150.06 -58.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t 67.27 97.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 -94.13 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.58 121.06 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.48 147.91 30.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -61.15 -127.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 8' ' ' VAL . 1.6 m 33.69 43.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -64.08 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 44.29 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 2.0 t -78.87 139.78 57.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.04 -33.17 4.74 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' CD1' ' A' ' 81' ' ' PHE . 7.4 mt -41.66 -60.42 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 13.6 m-85 -81.04 57.86 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -93.18 -47.67 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -83.55 -32.79 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.794 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -51.51 152.67 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.92 158.2 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.7 mt-10 -48.11 -54.94 11.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -49.66 -35.12 20.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD11 HG13 ' A' ' 125' ' ' VAL . 13.4 tp -74.38 -29.8 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.3 mm? -68.9 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -48.8 -49.98 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -53.24 -52.65 58.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.13 -36.49 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 30.2 m -64.73 -49.02 72.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.95 -21.62 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -32.92 51.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.0 mt -41.71 127.93 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -112.54 152.81 44.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -155.57 155.63 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.49 153.65 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 25.2 m-85 -104.97 139.16 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -116.55 -171.48 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.41 136.15 57.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 70.68 35.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -105.71 115.09 29.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.58 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 11.7 m-85 -91.72 120.2 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 40' ' ' LEU . 8.3 mp -85.46 -57.68 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 82' ' ' CYS . 13.3 m -130.2 150.19 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NE ' ' HB3' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -129.78 128.7 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -70.64 125.61 27.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.18 -30.73 9.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.89 158.85 49.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 t -116.63 120.89 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.05 -42.59 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 154.01 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 86' ' ' LEU . 3.9 ttt -99.9 150.06 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.551 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -119.21 119.54 34.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 83.4 m-85 -97.15 104.75 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 53' ' ' ILE . 15.7 mm -58.27 118.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.91 -48.85 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.63 109.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.2 -156.43 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -139.43 160.57 39.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 0.789 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.691 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -160.83 171.26 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.914 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.2 pt-20 -127.61 131.11 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.54 130.91 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 2.5 t -136.24 144.66 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 t -122.12 161.51 22.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.609 HG22 ' CE2' ' A' ' 71' ' ' TYR . 69.7 p -122.56 -51.02 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.67 139.19 45.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.22 -127.7 8.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.5 -175.4 32.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -168.47 138.08 2.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m 53.34 93.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.28 -135.92 12.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.19 153.29 34.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CE2' HG22 ' A' ' 63' ' ' THR . 43.4 m-85 48.25 98.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -80.87 107.11 13.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -84.12 145.0 28.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -157.84 171.9 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 tp -123.56 153.88 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.1 mt -107.79 149.06 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.4 ptmt -83.7 -172.13 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 8.4 tp10 -79.39 136.39 36.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 9.28 75.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.68 130.17 39.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 p90 -112.01 144.55 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.494 ' HB3' HG21 ' A' ' 41' ' ' VAL . 74.4 m -113.27 168.2 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.22 33.33 0.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -23.77 45.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.69 -30.57 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 119' ' ' ALA . 25.8 tp -58.96 -47.74 84.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD12 HD11 ' A' ' 122' ' ' LEU . 6.4 tp -47.56 -51.35 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.72 -42.82 85.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.052 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 57.4 t90 -46.51 -58.33 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.37 -40.35 77.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -14.21 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -118.69 97.03 50.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -54.2 -36.52 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 91.98 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.75 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.0 65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.98 169.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.85 157.64 2.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 -177.13 3.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -121.19 158.88 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.4 t -85.38 163.14 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 p -88.34 -29.17 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 174.5 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -102.71 113.66 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.09 149.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 9.1 ttpt -137.39 171.68 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.08 111.91 23.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.914 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -95.03 -25.1 16.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -135.22 165.01 26.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.61 113.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 58' ' ' LEU . 14.7 t -105.03 152.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -129.14 107.11 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.45 174.93 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -111.11 172.9 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.59 20.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -145.97 122.05 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 121' ' ' GLU . 6.7 tt -87.63 143.02 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -64.01 -49.9 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.91 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.1 mm-40 -49.63 -37.43 28.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.627 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.42 -69.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.52 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -42.63 -48.17 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.77 -61.56 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.813 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -63.99 -27.24 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -67.39 -60.29 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.7 -52.82 64.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -38.7 -46.97 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -55.71 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.99 86.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.39 95.37 3.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -141.22 -56.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 77.15 -174.42 54.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.03 4.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.15 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.0 p -108.03 132.88 53.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -172.81 79.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.59 -58.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.22 7.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -111.95 -59.21 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.17 139.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.2 -65.25 0.48 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 14' ' ' PHE . 10.1 t -72.3 79.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.03 73.24 10.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.08 62.94 2.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.94 159.22 81.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.25 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.5 mt -67.34 -62.65 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE2' HG11 ' A' ' 8' ' ' VAL . 21.9 m-85 -83.38 54.84 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -52.56 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -101.77 17.28 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB2' ' CA ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.23 140.06 38.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.7 m-20 -109.67 151.33 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -45.82 -45.28 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -54.88 -33.96 62.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 125' ' ' VAL . 7.3 tp -80.16 -28.49 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 3.9 mm? -68.6 -57.27 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.74 -53.56 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.63 -62.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.4 mt -54.11 -35.52 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 1.3 m -65.4 -44.39 87.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.5 -18.68 42.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 3.0 mpt_? -82.02 -34.98 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.0 mt -43.29 121.9 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 154.02 39.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.79 3.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.5 m -148.83 157.56 43.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 113' ' ' GLU . 1.5 tp -140.07 153.73 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 40' ' ' LEU . 21.1 m-85 -106.57 111.59 24.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 1.2 p -91.58 -168.51 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.77 139.3 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt 68.98 26.88 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -102.5 117.69 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.19 126.53 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 58' ' ' LEU . 6.8 mp -87.94 -51.45 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.14 157.58 37.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 156.17 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.55 104.52 16.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.97 -27.18 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -89.82 156.28 47.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' PRO . 45.2 t -111.46 103.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -75.02 -45.1 44.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.84 150.61 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.916 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.7 ttt -95.29 141.78 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -109.53 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -111.66 101.37 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.11 115.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.9 mm -90.26 -43.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 119.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.765 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.49 -162.27 35.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.598 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -131.28 155.39 47.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 HG11 ' A' ' 112' ' ' VAL . 4.0 mp -158.38 171.2 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.824 ' HB3' HD11 ' A' ' 109' ' ' LEU . 9.5 pt-20 -125.05 129.3 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -95.55 125.67 40.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.59 143.46 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 63' ' ' THR . 2.8 t -151.75 149.11 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.654 HG21 ' CE2' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -152.06 93.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.96 142.12 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.36 -168.21 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.3 -68.9 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.64 85.36 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -58.52 139.0 56.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 147.65 4.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 49.48 99.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.654 ' CE2' HG21 ' A' ' 63' ' ' THR . 6.5 m-85 -82.62 139.63 33.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -93.42 101.1 13.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -95.91 152.75 18.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.1 m -156.93 172.83 17.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.31 157.63 41.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.46 165.44 17.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -172.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 7.1 pt-20 -75.12 117.97 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.97 -19.36 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 135.04 34.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.5 p90 -113.65 170.03 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.9 m -127.9 164.7 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.85 50.95 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -72.64 -37.29 68.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.21 -35.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.021 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -53.87 -47.79 70.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 122' ' ' LEU . 1.4 tp -49.6 -54.77 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -64.13 -41.49 97.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.063 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 25.7 t90 -48.33 -54.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -61.57 -38.33 87.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.9 OUTLIER -74.19 -4.73 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -128.63 88.91 50.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.16 -33.97 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.38 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.15 -50.2 4.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.42 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 175.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mt -45.5 156.98 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.02 171.24 18.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.9 t -121.22 142.79 49.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -62.71 161.79 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.2 p -98.47 -13.55 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -154.7 170.52 21.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 m -110.01 104.31 13.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.83 153.21 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -137.29 169.9 17.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 35' ' ' THR . . . -109.31 112.84 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -95.84 -27.17 15.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -137.11 169.38 17.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.467 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.2 tt0 -60.73 122.47 14.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.765 HG13 ' HA3' ' A' ' 56' ' ' GLY . 12.1 t -125.78 132.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.8 tt0 -103.14 118.49 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.06 175.23 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -117.45 165.79 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.71 168.8 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -155.17 119.34 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -82.92 143.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.063 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.56 -50.47 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.509 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -46.34 -46.47 18.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 87' ' ' LEU . 1.4 tt -55.06 -53.42 56.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 0.5 OUTLIER -57.71 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -47.31 -60.25 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -62.95 -31.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -64.53 -50.38 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -54.82 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.72 -47.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.16 -56.8 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.37 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.12 131.09 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 55.9 p -171.63 155.02 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.83 -179.79 46.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -58.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -73.11 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 98.26 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -124.6 156.82 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.93 -120.41 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -152.11 -64.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 109.961 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 165.63 132.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 15.13 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 8' ' ' VAL . 58.8 t -87.57 60.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 84.86 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 52.4 38.32 24.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.8 t -72.55 139.94 81.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 -32.54 5.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 81' ' ' PHE . 4.4 mt -41.95 -64.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 1.045 ' CD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-85 -77.39 58.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -52.2 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -101.55 -14.49 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.2 113.13 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.59 154.51 39.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -47.39 -48.94 25.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -36.78 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 HG13 ' A' ' 125' ' ' VAL . 9.0 tp -75.5 -37.46 60.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.045 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.4 mm? -64.22 -55.72 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.46 -46.79 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -59.09 -36.63 75.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.521 ' O ' HD21 ' A' ' 117' ' ' LEU . 44.6 mt -77.43 -29.24 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 99.2 m -69.17 -55.72 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.249 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 4.1 pt-20 -50.59 -28.4 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -69.35 -35.59 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 117' ' ' LEU . 15.7 mt -39.97 126.33 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -105.94 154.26 39.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 107.6 2.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.6 m -150.68 158.37 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -142.69 151.95 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 19.8 m-85 -102.67 114.04 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.72 -168.32 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -71.96 144.0 49.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt 63.08 40.07 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -112.44 123.69 50.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.23 113.77 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 34' ' ' PHE . 9.6 mp -72.63 -58.85 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 104' ' ' ARG . 35.3 m -131.06 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 151.44 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -92.21 105.54 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.92 -27.95 6.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 158.24 43.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.5 Cg_endo -74.92 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 100' ' ' PRO . 21.2 t -113.33 115.56 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.31 -42.57 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 152.67 41.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.754 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.2 ttt -95.91 142.51 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.582 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -109.82 124.73 51.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.624 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.4 m-85 -104.57 101.49 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 53' ' ' ILE . 16.7 mm -60.75 119.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.2 mm -97.0 -48.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -168.12 145.06 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.22 -148.8 19.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.554 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.94 158.08 43.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -157.57 170.77 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.926 ' HB3' HD11 ' A' ' 109' ' ' LEU . 6.3 pt-20 -123.65 118.56 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -100.76 139.25 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.22 151.66 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.444 HG22 ' HB2' ' A' ' 72' ' ' ASN . 12.2 t -140.12 154.06 46.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.539 HG21 ' CE2' ' A' ' 71' ' ' TYR . 2.8 t -172.8 55.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -81.74 112.31 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.86 104.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.33 -156.09 11.02 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -177.89 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -90.21 -57.54 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 134.88 83.53 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.7 102.1 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' A' ' 63' ' ' THR . 19.0 m-85 -98.01 116.79 30.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' HB2' HG22 ' A' ' 62' ' ' THR . 57.9 m-80 -81.93 95.74 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -85.87 142.45 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.1 m -148.59 172.03 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tp -127.35 155.65 43.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 mt -124.96 158.72 32.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -137.07 178.85 6.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.18 127.72 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.23 -32.7 5.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.04 143.5 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -119.43 161.7 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.6 m -120.49 162.45 19.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.35 46.42 1.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.07 -36.19 82.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -41.38 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.103 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -52.02 -47.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 HD11 ' A' ' 122' ' ' LEU . 2.4 tp -51.51 -56.72 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -63.42 -43.24 98.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.026 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 41.4 t90 -42.41 -63.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.519 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.09 -50.19 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.53 -37.51 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -116.03 89.5 25.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.08 13.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -54.75 -34.18 62.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.7 -55.86 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.56 -178.58 30.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.11 -45.88 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -44.56 118.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -47.67 156.83 0.63 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.1 Cg_endo -75.0 168.93 23.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.95 128.08 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 162.61 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.0 p -111.82 -0.19 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -163.13 147.12 11.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.7 m -97.52 148.32 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -136.95 144.14 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.82 156.48 44.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.65 117.32 34.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -99.32 -24.15 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.616 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -136.14 167.06 21.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.0 120.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 110' ' ' THR . 27.6 t -112.18 151.01 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.97 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.76 174.7 13.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -113.35 173.95 6.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.0 165.02 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.34 119.89 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.4 tt -84.38 144.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.103 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.02 -50.42 66.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -67.52 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -49.2 -42.15 39.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.803 HD11 HD12 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -60.12 -63.62 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.519 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -47.22 -50.37 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 27.2 t80 -48.89 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -62.86 -28.68 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -66.17 -48.48 70.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -74.91 -48.95 22.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 3.6 mm-40 -38.24 -42.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -54.85 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 42.78 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -157.65 100.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.02 129.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -117.28 145.71 18.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 175.57 11.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.96 144.81 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -105.56 -60.31 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -60.3 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.6 p -127.24 142.66 51.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.58 -100.42 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -61.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t 65.29 91.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 52.5 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 8' ' ' VAL . 67.8 t -107.67 54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.232 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.61 64.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 m -71.03 159.05 86.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -74.98 -21.76 15.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 84' ' ' ASP . 53.1 mt -54.3 -64.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.415 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 19.0 m-85 -82.17 57.87 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -83.28 -53.63 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -106.29 17.25 23.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -80.5 139.94 36.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' LEU . 49.8 m-20 -97.95 146.8 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.59 -40.06 5.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 6.5 mmm180 -59.24 -40.73 86.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 HG13 ' A' ' 125' ' ' VAL . 10.0 tp -65.65 -39.32 91.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -65.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 26' ' ' CYS . 39.0 t0 -44.44 -61.96 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -42.42 -64.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -51.62 -32.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.4 -65.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.33 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -45.24 -34.32 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mmt-85 -63.02 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 117' ' ' LEU . 20.1 mt -38.07 119.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 153.42 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.3 m -148.64 160.83 42.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -142.24 150.85 41.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 22.6 m-85 -104.59 110.98 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -85.52 -168.97 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.39 139.93 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt 68.73 29.46 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.1 m -97.2 113.85 25.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.79 114.94 26.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.8 mp -75.05 -59.45 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 104' ' ' ARG . 15.6 m -126.71 150.1 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.57 128.24 42.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 107.58 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.22 -24.5 6.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.147 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -99.75 159.04 31.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.85 104.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -74.47 -46.17 41.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.9 149.99 46.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.856 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.9 ttt -95.53 145.49 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mm? -111.01 129.03 56.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.712 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.0 m-85 -109.58 103.81 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 53' ' ' ILE . 17.7 mm -61.8 123.69 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.69 -45.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.69 117.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.04 -155.38 26.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -141.99 157.44 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -158.1 171.56 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.884 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.5 pt-20 -120.9 117.69 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -95.52 132.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t -138.77 152.83 24.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 t -124.5 160.91 27.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -122.25 -51.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.0 90.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.76 104.27 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.95 -95.74 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.98 -54.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.2 152.76 44.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.88 -167.45 27.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.34 171.71 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -84.04 134.72 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.97 98.3 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 mpt_? -72.95 150.19 42.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 p -157.0 170.39 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.69 154.52 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.1 mt -112.94 164.32 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -122.87 -172.51 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.13 125.71 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.67 36.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 123.51 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 13' ' ' LEU . 13.0 p90 -104.37 163.45 12.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.3 m -125.3 167.07 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.355 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.23 55.91 2.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.644 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -77.28 -27.85 53.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.72 -21.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.4 tp -72.5 -46.17 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.938 HD12 HD11 ' A' ' 122' ' ' LEU . 3.4 tp -52.56 -48.04 66.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -39.95 77.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.995 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 50.5 t90 -47.08 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -50.21 -49.76 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.3 mp -52.6 -29.84 27.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.27 111.72 57.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.03 8.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -59.25 -26.96 65.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.0 m -101.24 92.5 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.21 55.02 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.99 -50.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -127.47 128.34 45.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.5 mt -47.56 157.49 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.457 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.02 164.31 33.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -121.16 125.18 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -70.09 143.42 52.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.3 p -103.89 24.85 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.45 151.94 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.3 m -116.44 136.59 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.6 t -135.05 154.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.167 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.56 157.78 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.96 113.17 26.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -96.24 -21.86 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 2.4 t -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.455 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.5 tt0 -68.19 113.03 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 58' ' ' LEU . 41.3 t -107.76 138.52 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.88 109.95 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.41 174.97 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 53.0 m-85 -113.87 169.4 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.49 165.19 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.85 121.92 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.8 tt -83.52 144.11 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.56 -50.18 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -39.98 -67.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.464 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.95 -44.73 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -50.62 -53.91 27.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.624 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -57.48 -51.93 67.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.26 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -51.37 -38.82 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -62.49 -68.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -51.95 -45.35 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.4 mm-40 -38.44 -57.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 17.2 m-85 -87.91 -58.29 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.22 128.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -178.01 102.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.87 93.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 46.04 -167.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 176.27 10.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.8 p -92.04 134.07 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.7 m -96.54 -60.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.11 -58.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.08 170.8 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.32 174.04 36.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.87 75.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -175.49 151.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.09 -104.38 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG22 ' H ' ' A' ' 9' ' ' ARG . 2.0 p -49.62 173.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' H ' HG22 ' A' ' 8' ' ' VAL . 0.3 OUTLIER 79.15 135.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.28 15.44 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 14' ' ' PHE . 15.0 m -81.51 159.12 67.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -8.95 20.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 44.5 mt -67.03 -62.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' HB3' HD21 ' A' ' 22' ' ' LEU . 5.1 m-85 -80.53 57.73 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -51.15 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -88.53 -27.62 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.644 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -48.61 161.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.48 156.33 18.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -53.13 -52.66 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 7.5 mmm180 -45.89 -35.06 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD23 ' CG ' ' A' ' 17' ' ' MET . 3.8 tp -72.65 -38.35 67.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 14' ' ' PHE . 4.4 mm? -62.13 -51.34 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.16 -52.5 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -58.73 -58.62 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.5 mt -53.99 -33.01 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 14.7 m -71.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -28.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -70.93 -37.32 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 117' ' ' LEU . 19.4 mt -38.2 119.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.97 152.3 38.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.778 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.7 m -148.76 160.64 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.43 153.4 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 30.5 m-85 -113.18 110.46 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -80.31 -168.23 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.85 140.87 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 3.8 mtmp? 70.78 30.08 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 5.5 m -97.01 120.86 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -102.48 105.31 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -65.45 -58.76 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 m -134.99 154.13 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.21 167.28 20.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.64 103.43 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.91 -34.06 4.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -78.57 153.12 78.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.95 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' PRO . 44.0 t -117.33 103.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.87 -45.63 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.54 149.57 42.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.728 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -95.84 148.38 22.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -117.07 117.55 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 64.7 m-85 -94.11 101.78 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 53' ' ' ILE . 30.9 mm -57.92 120.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -98.79 -54.61 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.84 127.7 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.15 -149.74 20.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.19 146.67 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 112' ' ' VAL . 4.4 mp -147.34 171.5 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.915 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.1 pt-20 -125.23 124.53 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -97.85 132.49 43.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.69 155.26 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 t -135.2 142.43 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 63' ' ' THR . 8.2 t -166.86 61.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.85 154.13 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.99 160.82 18.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.08 -58.41 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -149.37 97.01 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -149.41 169.72 20.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.65 -99.29 0.89 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.475 1.11 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -86.16 165.94 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -95.52 119.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.49 97.66 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 149.81 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 p -154.02 173.79 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.1 tp -134.97 154.95 51.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 80' ' ' ASP . 13.7 mt -119.25 158.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -172.14 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -71.01 121.85 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.4 -30.57 4.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.07 140.36 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.738 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.456 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.3 -174.62 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.36 163.53 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.86 40.31 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HA ' ' HE2' ' A' ' 50' ' ' MET . 0.3 OUTLIER -58.57 -40.24 82.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -44.67 -25.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.927 HD11 ' HB2' ' A' ' 119' ' ' ALA . 17.4 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.607 HD13 ' HE1' ' A' ' 50' ' ' MET . 0.8 OUTLIER -49.22 -50.25 39.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -40.15 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.962 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 34.4 t90 -51.57 -54.17 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -64.61 -31.83 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -81.74 3.39 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -133.95 97.34 15.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.74 9.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -62.47 -29.92 70.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.69 170.27 12.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.71 -116.47 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.1 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m 45.67 45.58 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 t30 72.14 175.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.1 156.96 9.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 163.63 34.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -120.38 130.69 54.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -65.91 159.78 24.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 p -116.25 31.86 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.8 152.09 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 106' ' ' VAL . 94.7 m -109.14 153.47 23.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 105' ' ' THR . 45.2 t -153.32 151.43 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -144.34 146.09 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -88.14 112.84 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.915 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -94.35 -22.17 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -138.18 169.37 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.17 112.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 110' ' ' THR . 13.5 t -106.94 142.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -124.27 110.92 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.4 174.9 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -110.38 166.08 11.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.2 156.2 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.75 120.04 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -85.18 143.27 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.962 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.09 -51.7 65.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -40.11 -69.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.475 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.6 -34.06 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.2 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -41.85 -45.67 3.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.29 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.73 -39.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -60.38 -52.55 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -50.42 66.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -38.82 -47.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -78.03 -43.14 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.69 146.62 13.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 -53.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.7 t 75.73 -59.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 69.82 -132.01 23.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.51 2.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.7 t -126.83 114.1 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.4 t -114.38 152.6 31.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -56.81 6.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -176.37 -52.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.41 38.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -69.27 136.33 51.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -113.08 132.68 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.92 78.18 0.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.462 ' HB ' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -165.32 -46.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 61.19 -90.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 11.7 ttp180 -136.47 37.5 2.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.513 ' CG1' HD12 ' A' ' 13' ' ' LEU . 1.9 t -77.62 140.13 63.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 -30.48 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 ' CG1' ' A' ' 11' ' ' VAL . 5.0 mt -42.65 -54.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.768 ' CD1' HD11 ' A' ' 22' ' ' LEU . 22.1 m-85 -82.61 54.77 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -52.53 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -104.31 13.82 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mtp -94.28 118.26 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -62.84 157.59 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.83 -47.19 80.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -49.7 -29.84 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 125' ' ' VAL . 12.0 tp -73.52 -36.12 65.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.5 mm? -62.93 -61.87 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.62 -45.35 63.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -56.78 -56.8 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mt -62.7 -22.97 31.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 t -75.56 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.76 -26.26 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 1.6 mmt85 -71.52 -38.97 71.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 117' ' ' LEU . 18.8 mt -37.82 123.33 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -103.57 149.02 36.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 p -148.87 168.79 22.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.54 163.99 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 43.0 m-85 -124.9 112.68 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -79.13 -168.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.83 144.9 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 68.42 29.71 5.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 m -96.38 117.46 30.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 5.3 m-85 -99.02 104.38 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -62.39 -55.23 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.3 154.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -128.1 165.11 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.91 100.12 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.07 -30.16 5.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 15.7 p-10 -81.56 155.37 71.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 100' ' ' PRO . 22.5 t -120.0 101.74 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -46.83 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.45 153.07 50.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.598 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.3 ttt -97.71 145.81 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -112.05 130.16 55.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 19.8 m-85 -111.56 101.44 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 mm -55.3 125.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.8 mm -100.76 -44.7 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.11 98.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.08 -149.08 6.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.673 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -150.03 159.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.753 . . . . 0.0 110.277 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 112' ' ' VAL . 3.4 mp -162.35 171.99 16.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.827 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.6 pt-20 -119.09 126.79 52.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -101.53 127.06 48.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.8 t -133.39 153.51 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -134.81 150.3 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.904 HG22 ' CE2' ' A' ' 71' ' ' TYR . 74.6 p -119.18 -39.26 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.75 116.21 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.62 -70.27 0.1 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.17 98.61 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 63.43 137.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.04 127.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.83 121.37 5.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -156.51 109.93 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.904 ' CE2' HG22 ' A' ' 63' ' ' THR . 4.8 m-85 -92.07 105.94 18.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -80.74 99.3 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.774 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -75.01 154.82 37.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -161.34 169.84 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.45 154.66 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 mt -121.6 156.73 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -136.96 -179.21 5.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 125.21 18.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.79 -30.47 5.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.71 142.56 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -115.97 174.4 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.1 m -134.56 161.91 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 108.266 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.43 56.72 2.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.87 -29.77 44.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -45.74 -26.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 28.1 tp -65.57 -54.66 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 122' ' ' LEU . 10.3 tp -42.76 -54.56 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.19 -44.02 93.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.036 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 45.2 t90 -47.62 -62.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -54.52 -47.77 72.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.825 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -54.04 -27.61 33.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.93 112.64 62.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -29.69 7.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -62.42 -42.73 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m 48.97 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.61 -60.16 0.7 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.1 t -178.31 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.02 175.29 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt -48.31 157.35 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 159.14 41.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -120.6 125.76 48.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -67.41 153.2 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -107.17 24.64 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.29 153.13 15.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 106' ' ' VAL . 8.6 m -109.01 155.0 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' THR . 32.6 t -153.31 145.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.64 146.75 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.29 111.02 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.45 -26.97 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.5 t -134.85 155.91 49.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -40.23 112.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 58' ' ' LEU . 2.7 t -103.94 142.46 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -128.49 107.64 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.36 174.79 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 m-85 -111.12 161.31 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.83 160.03 14.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -143.74 119.8 10.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -82.12 142.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.036 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.85 -46.02 83.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 5.5 mm-40 -50.76 -34.42 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 90' ' ' ALA . 1.4 tt -63.61 -69.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.67 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 1.7 ttpp -40.68 -47.62 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.35 -67.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.602 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -56.3 -32.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.825 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -70.28 -23.81 62.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER -90.16 -40.71 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.038 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -45.82 -64.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 21' ' ' LEU . 73.4 m-85 -82.64 -60.61 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 11.7 ptt180 42.1 28.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -75.84 116.58 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.2 m 63.85 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.02 166.84 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.71 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.98 111.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 t -172.06 132.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -135.96 -59.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.961 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.88 -57.95 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 142.03 3.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.4 p -121.36 139.58 53.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.16 98.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -153.91 -141.55 3.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' ARG . 24.7 m 39.18 61.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.95 79.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 38.96 64.61 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -75.94 158.94 81.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.01 -10.7 21.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 38.5 mt -60.69 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.53 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 37.6 m-85 -83.25 56.14 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -85.49 -53.36 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -87.85 -22.0 24.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.53 ' CG ' ' HA ' ' A' ' 14' ' ' PHE . 6.9 mmm -47.7 156.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.77 147.54 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.3 tt0 -47.7 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -45.93 -28.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 HG22 ' A' ' 125' ' ' VAL . 7.5 tp -64.31 -42.19 96.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 14' ' ' PHE . 3.2 mm? -55.93 -51.32 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.5 -42.37 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 117' ' ' LEU . 53.8 mt -57.97 -29.98 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 5.2 m -69.25 -53.89 17.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.67 -22.46 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.36 -33.65 58.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 17.7 mt -44.73 121.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -106.92 153.63 40.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.8 m -150.43 158.82 44.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -141.12 154.2 45.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 48.0 m-85 -113.15 110.93 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -79.78 -169.14 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.29 143.36 57.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt 65.52 38.15 5.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 m -103.56 120.08 40.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -97.47 113.63 25.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.23 -56.16 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.44 153.41 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 160.07 38.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.5 106.08 18.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.23 -35.35 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -83.22 153.62 66.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 t -119.59 107.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.32 -45.27 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -95.95 148.11 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -114.94 121.24 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -99.42 102.08 13.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -58.01 123.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.9 -51.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.79 124.48 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.723 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 151.11 -169.45 30.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -129.25 153.7 47.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.776 HD11 HG11 ' A' ' 112' ' ' VAL . 2.7 mp -155.61 171.89 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.0 pt-20 -123.56 133.89 53.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.9 t -110.23 135.03 51.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 73' ' ' ARG . 2.9 t -140.85 145.14 25.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.6 t -152.25 143.73 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.44 HG21 ' CZ ' ' A' ' 71' ' ' TYR . 72.6 p -115.91 -2.14 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.68 130.88 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.3 122.08 2.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -69.92 2.19 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.38 153.18 17.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 0.787 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.15 132.85 44.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.45 -149.35 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.03 172.49 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.44 ' CZ ' HG21 ' A' ' 63' ' ' THR . 6.7 m-85 -69.44 128.71 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -98.43 100.16 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -85.56 153.0 22.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -159.41 173.39 16.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tp -124.15 144.44 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 80' ' ' ASP . 35.3 mt -107.87 110.88 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -77.05 166.48 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.48 121.6 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.25 -37.94 2.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 76' ' ' LEU . 32.3 t70 -69.24 163.0 25.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -133.07 177.68 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 56.5 m -130.69 167.87 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.92 39.41 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -63.0 -25.41 68.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -48.95 -38.21 22.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.023 HD11 ' HB2' ' A' ' 119' ' ' ALA . 52.6 tp -50.34 -41.98 52.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 122' ' ' LEU . 0.8 OUTLIER -57.94 -50.28 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -37.85 88.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.878 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.9 t90 -48.64 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.69 -48.82 63.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -52.49 -23.54 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.55 106.31 55.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -28.05 9.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.97 -35.92 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.45 78.96 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.98 75.08 0.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.57 -53.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -134.97 137.62 43.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 mt -45.69 157.94 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 163.03 36.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -119.8 127.13 52.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -77.14 122.63 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 t -87.01 44.29 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.6 152.21 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.9 m -117.96 137.59 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 49.7 t -134.19 152.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -144.36 156.43 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.91 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -83.34 -24.75 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.7 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.59 133.83 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.776 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -135.48 158.03 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.38 116.0 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.24 174.88 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -109.85 175.02 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 151.34 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.53 123.17 21.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.9 tt -85.74 144.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.023 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.69 -48.03 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 28' ' ' ARG . 3.8 mm-40 -48.65 -29.91 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -68.01 -69.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.673 ' CG ' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -41.08 -48.43 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.481 ' CE2' ' HG3' ' A' ' 128' ' ' GLN . 46.8 t80 -54.22 -69.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -53.41 -29.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.33 -38.25 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -43.02 19.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.481 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 3.3 mm-40 -38.75 -67.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -80.37 -60.91 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 -177.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.2 107.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 82.7 p -149.64 162.5 40.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.15 160.86 5.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.97 27.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.39 160.96 42.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.06 131.38 5.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 145.5 51.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -165.64 -59.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.75 -138.33 24.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p 53.08 78.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -106.97 -39.48 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' HG23 ' A' ' 8' ' ' VAL . . . -91.89 50.09 2.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.441 ' HA ' ' CG2' ' A' ' 11' ' ' VAL . 49.3 t -152.57 -49.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.8 101.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 70.74 41.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.585 HG11 HD12 ' A' ' 13' ' ' LEU . 1.7 t -86.25 140.68 34.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.95 -31.53 6.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.641 HD11 ' CD2' ' A' ' 81' ' ' PHE . 4.4 mt -41.6 -50.86 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' HB3' HD21 ' A' ' 22' ' ' LEU . 20.1 m-85 -88.23 50.75 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.9 -53.36 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -97.08 15.1 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 25' ' ' ILE . 89.9 mtp -100.94 137.57 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' CG ' ' CE1' ' A' ' 129' ' ' PHE . 4.1 m-20 -80.8 158.15 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.4 mt-10 -56.78 -47.49 80.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -49.88 -25.77 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 125' ' ' VAL . 6.4 tp -78.76 -34.76 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 14' ' ' PHE . 1.5 mm? -59.34 -52.5 65.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.05 -53.76 44.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.635 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -48.08 -52.06 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' CE ' ' A' ' 17' ' ' MET . 67.2 mt -67.66 -30.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' LEU . 42.7 t -67.48 -66.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -28.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -67.85 -42.22 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 117' ' ' LEU . 15.8 mt -39.45 118.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 152.16 39.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.3 m -141.74 163.13 33.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.11 149.35 38.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 12.3 m-85 -116.77 134.38 54.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -115.55 -168.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.91 141.52 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? 68.97 38.35 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -113.08 120.98 43.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 29.2 m-85 -99.28 119.29 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 9.5 mp -82.78 -59.08 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.38 157.2 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -126.91 160.91 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 118.25 32.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.94 -30.89 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 12.2 p-10 -87.66 157.3 52.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 171.8 17.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.07 112.99 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -84.28 -43.29 14.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -141.72 147.03 36.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.503 ' HG2' ' CE1' ' A' ' 52' ' ' PHE . 17.3 ttt -96.36 142.73 28.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 116' ' ' ALA . 1.3 mm? -110.13 136.67 48.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 8.5 m-85 -112.64 101.01 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.5 mm -53.34 124.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 14.6 mm -98.81 -49.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -171.25 137.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 137.81 -161.09 25.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.165 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -128.83 163.35 25.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 57' ' ' ARG . 2.6 mp -157.55 171.43 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.2 pt-20 -118.7 121.17 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.7 t -96.82 132.7 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.35 142.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' TYR . 8.9 t -141.76 131.24 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.354 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 71' ' ' TYR . 59.1 p -99.43 -57.04 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.18 118.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.69 -72.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.77 72.21 0.46 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 40.21 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.59 150.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.65 148.39 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.47 104.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.487 ' HB3' HG22 ' A' ' 63' ' ' THR . 6.0 p90 -47.45 151.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -87.89 108.2 19.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.39 144.38 48.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 m -151.19 174.11 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 59' ' ' GLU . 3.2 tp -131.27 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -118.87 158.15 26.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -131.14 -172.14 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 2.8 mt-10 -66.12 120.43 13.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.2 4.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 140.49 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.641 ' CD2' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -117.42 167.01 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -124.24 165.8 16.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.16 32.43 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -62.37 -29.87 70.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 103' ' ' THR . 6.2 mp0 -51.75 -34.68 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.6 tp -59.27 -55.6 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.505 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.74 -48.87 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -70.13 -44.56 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.798 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -42.74 -66.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 107.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -48.71 -48.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.42 -26.74 61.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' THR . 15.3 t0 -88.37 117.17 68.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.17 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -49.12 -41.39 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 120.51 22.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.58 74.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.51 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.039 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -138.33 130.55 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.6 mt -45.54 157.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.0 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -121.35 140.62 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -63.57 163.45 11.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.475 HG23 ' OE1' ' A' ' 85' ' ' GLU . 8.2 p -94.96 -33.76 12.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 153.0 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 40.2 m -86.13 114.27 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 46.9 t -107.15 148.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 2.8 ttpt -139.03 161.0 38.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.21 120.08 41.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -102.75 -27.87 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 t -129.45 156.04 44.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -42.82 133.1 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.418 HG12 ' HA3' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -140.12 165.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.64 124.6 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.27 175.25 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.12 163.98 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -105.26 160.54 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.41 119.78 6.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 121' ' ' GLU . 9.5 tt -83.62 146.37 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.989 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -68.18 -51.88 40.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -39.89 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.5 mm-40 -47.83 -29.56 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.505 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.49 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.652 ' CD ' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -44.01 -45.28 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.49 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.635 HG21 ' HB1' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.44 -29.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -42.79 44.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -38.49 -47.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.466 ' CE1' ' CG ' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -96.93 -50.02 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.066 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -53.29 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.47 149.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.1 m -98.01 81.91 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -119.32 -169.18 14.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.41 105.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.0 t 44.88 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.49 -58.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.56 131.17 3.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.1 158.64 31.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p 174.76 -56.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 99.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.7 -92.85 0.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.713 HG11 ' CE2' ' A' ' 14' ' ' PHE . 33.2 m -92.75 37.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -11.36 57.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.05 39.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.5 t -81.81 140.76 47.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 -33.0 4.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 9.9 mt -42.12 -64.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.713 ' CE2' HG11 ' A' ' 8' ' ' VAL . 74.5 m-85 -76.44 54.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -53.45 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -81.04 -21.6 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.804 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.2 153.22 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 m-20 -110.12 154.15 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.91 -52.95 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -54.45 -31.37 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.5 tp -77.35 -33.1 55.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.94 -51.24 68.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 34.2 t0 -63.64 -57.84 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -40.97 -60.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 HD21 ' A' ' 117' ' ' LEU . 72.6 mt -56.79 -36.98 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -59.29 -55.6 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.84 -23.47 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.712 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -74.34 -41.67 60.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' CD2' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -42.69 119.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.92 149.91 36.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 94.17 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.6 161.11 30.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.09 148.83 39.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 37.6 m-85 -109.37 112.25 24.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -82.9 -168.59 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.46 140.2 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 67.46 36.43 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 m -103.89 117.21 33.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 37.1 m-85 -93.04 117.77 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.73 -56.16 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.1 m -133.35 154.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.44 145.14 46.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -82.63 118.55 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 -35.83 3.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.5 156.29 35.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.28 16.68 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -110.57 106.71 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.99 -45.39 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.25 152.48 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.544 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.0 ttt -99.08 144.27 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 mm? -111.89 127.61 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.698 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -108.66 103.09 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.99 125.33 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.58 -51.11 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.36 108.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.96 -155.68 24.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -143.05 157.29 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -157.59 171.79 19.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.803 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.7 pt-20 -124.22 136.91 54.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.09 126.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.631 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.4 t -133.65 149.42 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.8 t -144.75 157.8 44.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.773 HG21 ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -170.29 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -70.7 142.49 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.78 -155.84 41.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 45.06 -151.86 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -148.47 85.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.0 p -162.73 169.28 20.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -108.41 -77.9 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -52.16 143.67 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.773 ' CE2' HG21 ' A' ' 63' ' ' THR . 5.3 m-85 -77.21 126.7 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -88.61 95.27 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' A' ' 61' ' ' VAL . 1.3 mpt_? -77.85 151.02 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -164.13 173.48 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.57 155.84 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.73 166.0 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -95.03 -172.64 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -84.78 115.52 22.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.48 6.17 21.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.28 134.6 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -115.66 147.47 40.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 78.8 m -117.65 175.07 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.35 36.95 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -24.57 67.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.75 -28.92 52.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.092 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.1 tp -57.68 -55.71 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 122' ' ' LEU . 5.3 tp -44.46 -48.1 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.046 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.1 t90 -43.39 -59.05 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -55.26 -54.75 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.623 HD21 ' CE ' ' A' ' 17' ' ' MET . 0.9 OUTLIER -51.9 -21.63 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -101.47 107.81 52.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.65 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -48.99 -35.91 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -50.1 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.049 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' SER . . . -55.52 -163.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.75 72.71 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -157.11 106.73 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.03 158.6 1.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.72 2.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -121.5 146.75 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.2 p -70.62 163.25 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 p -91.42 -41.82 10.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -156.42 163.62 39.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 m -86.1 106.45 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 24.7 t -105.47 144.31 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 7.3 ttpt -132.31 165.0 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.64 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -95.88 -27.43 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 t -135.1 158.83 43.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -44.19 118.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 58' ' ' LEU . 12.7 t -109.51 145.2 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.35 105.75 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.16 174.95 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -111.52 171.65 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.28 166.27 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.514 HD21 HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -151.03 123.85 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.712 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.8 tt -87.9 143.7 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.092 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.5 -49.24 69.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 16.9 mm-40 -48.71 -37.73 19.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -61.11 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ttpp -50.89 -46.41 60.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.529 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -62.24 -29.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -56.54 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 m -61.33 -50.35 73.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -38.74 -46.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -81.82 -52.23 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.41 82.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 94.27 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -151.07 140.34 21.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.15 170.33 13.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 51.4 p -65.92 139.3 58.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.78 165.63 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t 63.08 92.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -171.81 163.91 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.95 -132.57 40.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -172.36 100.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.01 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 159.81 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.03 -65.36 1.54 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -81.15 57.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -47.26 10.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -176.52 63.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.55 159.1 83.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' A' ' 81' ' ' PHE . 63.7 mt -63.29 -59.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -82.66 58.12 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -52.63 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -86.77 -17.02 34.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.585 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -50.58 154.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.493 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.2 t70 -110.22 156.32 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.95 -50.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -58.44 -29.39 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.0 tp -75.01 -32.59 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.4 mm? -65.49 -55.32 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -42.46 91.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -60.28 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.9 -32.4 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 21.7 m -68.13 -65.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.15 -28.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 6.3 mmt85 -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 117' ' ' LEU . 18.0 mt -37.29 130.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -107.1 151.79 40.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.1 m -150.06 157.54 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.21 150.16 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 27.8 m-85 -108.08 112.6 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -82.48 -168.52 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.73 141.92 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 67.47 34.55 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 14.9 m -95.98 119.59 34.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.26 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.32 -56.98 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.3 m -134.32 154.07 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 1.6 mtm180 -135.36 138.92 43.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 125.25 25.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.69 -33.79 6.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -89.48 148.23 39.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 172.85 15.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.0 t -109.13 120.64 60.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.34 -40.64 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -142.65 149.92 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.858 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.7 ttt -97.39 144.87 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -115.15 117.57 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.723 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 79.5 m-85 -93.91 106.0 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.0 mm -60.73 121.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mm -99.83 -46.92 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.06 106.71 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.17 -168.5 41.05 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -133.69 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -155.87 171.41 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.745 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.8 pt-20 -122.45 131.22 53.77 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 130.39 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.6 t -136.35 147.13 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 t -116.73 140.91 48.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 p -111.3 -18.14 13.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.65 153.4 23.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.27 -78.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.28 -73.24 0.14 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 91.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.5 p 43.21 82.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.17 66.9 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 53.92 170.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -110.51 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.99 104.03 16.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 61' ' ' VAL . 5.9 mtp180 -81.57 151.52 27.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -158.57 172.32 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.72 157.02 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -114.07 170.01 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -118.67 -173.86 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.57 127.42 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.75 33.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 174.75 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -155.98 142.91 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.4 m -107.85 158.91 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.18 50.68 3.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -69.91 -33.85 72.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.43 -26.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 119' ' ' ALA . 37.8 tp -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 122' ' ' LEU . 9.2 tp -52.16 -50.86 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.37 -41.08 81.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.032 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.2 t90 -45.37 -56.43 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -57.83 -51.68 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.7 mp -52.21 -34.23 44.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 8.0 m-20 -75.98 126.34 87.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.51 2.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' SER . 78.0 p 43.82 50.11 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -95.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' SER . 15.0 p -157.14 -48.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -117.83 170.62 8.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.2 mt -41.91 159.44 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.5 Cg_endo -74.95 -169.05 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.55 146.43 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.6 p -69.91 163.7 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -89.72 -42.51 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.65 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -161.15 168.99 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.6 m -87.69 104.94 17.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.96 144.85 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.86 144.23 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -82.99 114.66 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -97.27 -25.71 15.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.6 t -134.62 158.81 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -41.81 122.77 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 58' ' ' LEU . 3.4 t -117.74 149.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -134.25 109.08 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.48 175.11 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.435 ' HB2' HD22 ' A' ' 29' ' ' LEU . 59.0 m-85 -111.97 162.5 15.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -103.83 156.08 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -143.58 121.57 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -84.16 143.12 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.08 -48.78 74.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -66.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -54.44 -35.56 63.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 87' ' ' LEU . 1.6 tt -63.44 -67.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.613 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -38.96 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -46.0 -68.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.547 HG22 HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.27 -28.14 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.39 -60.03 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.4 OUTLIER -63.44 -45.71 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' SER . 4.3 mm-40 -38.61 -37.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.64 -46.73 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.3 -47.43 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.54 -61.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.4 -54.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -154.59 157.55 27.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 103.17 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.6 t -104.67 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.72 107.1 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 -57.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -168.07 151.42 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.78 -140.32 16.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -169.61 143.32 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.62 86.12 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.31 156.98 25.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t 51.17 63.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -89.48 -35.71 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.701 HG11 ' CD2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -68.26 127.94 93.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 -33.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 ' CD2' ' A' ' 81' ' ' PHE . 24.6 mt -41.86 -64.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.701 ' CD2' HG11 ' A' ' 11' ' ' VAL . 6.4 m-85 -84.13 55.94 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -82.57 -53.18 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.443 HD21 HD21 ' A' ' 91' ' ' LEU . 12.7 p30 -81.26 -32.17 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.0 mtm -51.5 142.15 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.1 m-20 -105.46 158.09 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.99 -55.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -47.43 -42.45 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 125' ' ' VAL . 12.9 tp -67.43 -35.21 78.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD22 ' HE3' ' A' ' 17' ' ' MET . 4.6 mm? -65.08 -60.39 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -49.95 -46.81 52.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.04 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 65.1 mt -52.42 -26.17 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 20.2 m -76.33 -60.52 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.0 -25.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -73.7 -35.36 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 18.8 mt -38.95 126.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 152.37 39.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.24 2.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.6 m -150.64 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.35 154.96 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 16.3 m-85 -107.97 111.06 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.58 -170.76 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.89 137.86 58.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt 69.58 25.93 5.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.1 m -91.98 114.32 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 32.4 m-85 -90.84 113.39 25.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.14 -51.14 11.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' ARG . 24.3 m -141.31 154.66 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -131.13 140.24 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -78.51 110.27 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.62 -34.53 3.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 28.7 p-10 -87.42 158.15 52.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.02 23.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.533 ' O ' HD22 ' A' ' 99' ' ' LEU . 40.1 t -108.61 117.2 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -89.49 -42.71 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 151.32 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.733 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.5 ttt -97.54 142.65 29.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.595 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -112.66 119.01 36.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 80.1 m-85 -94.79 102.83 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 53' ' ' ILE . 10.4 mm -59.78 118.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 20.7 mm -98.27 -48.54 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.98 144.95 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.33 -155.6 21.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.91 157.99 44.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.1 mp -155.79 169.41 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.6 pt-20 -112.51 112.96 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.1 p -98.1 128.41 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' ARG . 3.0 t -137.1 135.22 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 t -119.21 152.49 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.66 -44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 54.01 74.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.21 131.14 48.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.9 31.07 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.36 -47.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.41 160.89 23.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.71 -65.01 0.42 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -50.87 152.38 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -111.19 116.02 30.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.61 103.37 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -78.09 141.36 38.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -154.2 172.99 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -129.01 145.24 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 75' ' ' LEU . 21.8 mt -101.66 158.51 16.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -120.37 179.82 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 125.46 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.08 -28.03 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.25 138.99 44.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.542 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -118.13 153.77 33.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.57 163.75 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.17 48.96 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -66.32 -39.03 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' ASP . 14.7 mm-40 -38.27 -33.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 24.7 tp -55.48 -57.42 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.935 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.04 -51.93 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.993 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.8 t90 -45.71 -62.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -49.91 -38.83 37.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -66.93 -29.77 69.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -92.51 114.42 62.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -69.12 -40.28 78.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 p 63.84 139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.9 44.96 3.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.36 93.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.88 176.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 47' ' ' VAL . 20.2 mt -44.03 157.37 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -172.78 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.5 p -121.35 138.24 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 42' ' ' ARG . 24.6 p -58.36 163.19 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 p -88.91 -38.5 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -155.03 173.04 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -93.94 102.52 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 43.0 t -102.85 138.92 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.5 ttpt -135.25 145.56 47.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -90.41 128.08 36.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -112.0 -27.38 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -128.28 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -47.41 115.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 110' ' ' THR . 18.8 t -108.1 154.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.32 107.99 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.51 174.73 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.5 166.29 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.57 168.39 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.97 119.94 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -84.46 143.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.007 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -62.67 -50.28 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.7 mm-40 -51.56 -36.29 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.935 HD11 HD12 ' A' ' 87' ' ' LEU . 1.1 tt -61.72 -65.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.577 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.2 ttpp -48.12 -45.16 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -52.35 -62.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 21' ' ' LEU . 1.3 p -58.86 -29.09 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -67.91 -31.12 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -84.16 -47.36 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . 4.7 mm-40 -37.59 -68.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.483 ' CD1' HD13 ' A' ' 21' ' ' LEU . 82.0 m-85 -79.3 -60.66 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.34 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 61.73 141.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.15 158.34 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -91.82 -160.38 36.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.93 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.51 -64.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 t -171.68 -59.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 66.3 150.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.15 86.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -117.69 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -162.87 85.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -79.94 155.7 27.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.67 -148.62 1.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 8' ' ' VAL . 49.0 t 59.2 56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 79.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.74 64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 m -69.97 159.06 85.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -74.96 -20.86 16.53 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 30.6 mt -54.09 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.81 56.19 1.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -92.96 -52.12 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -88.75 -27.73 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.585 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.5 ttm -53.37 135.58 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -44.25 -53.94 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 14.9 mmm-85 -47.52 -36.65 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 HG13 ' A' ' 125' ' ' VAL . 12.1 tp -75.54 -31.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 17' ' ' MET . 3.9 mm? -64.45 -51.41 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -60.3 -55.76 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.57 -43.0 45.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -44.71 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.622 ' SG ' HD12 ' A' ' 29' ' ' LEU . 5.4 t -57.21 -50.48 72.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -25.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.796 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -76.93 -44.49 31.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' SG ' ' A' ' 26' ' ' CYS . 38.7 mt -38.65 104.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 158.46 43.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.373 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 109.31 2.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.1 m -147.43 153.32 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 151.18 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 49.6 m-85 -113.69 139.62 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -116.38 -173.18 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 137.74 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 69.89 40.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.2 m -113.93 126.87 55.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 20.0 m-85 -102.45 120.2 40.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 8.8 mp -85.78 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.14 153.99 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 125.5 42.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.01 128.5 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.67 -39.44 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -80.17 159.34 70.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 165.52 31.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.98 125.29 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -91.43 -38.75 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.05 149.52 38.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 1.003 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -95.9 143.07 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -111.2 127.32 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 32.0 m-85 -104.7 101.88 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -56.03 117.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mm -93.52 -55.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.64 128.84 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.31 -173.97 23.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 161.4 23.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 112' ' ' VAL . 2.7 mp -153.66 171.65 18.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.774 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.8 pt-20 -117.32 119.4 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 t -98.55 130.63 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.45 153.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -123.71 144.48 49.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.1 p -109.58 -47.75 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -88.33 131.45 34.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.41 -102.34 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.96 172.1 21.03 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.97 -55.96 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 0.77 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 p -56.58 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.96 -141.41 6.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.599 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 m-85 -98.21 -26.32 14.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 70' ' ' PHE . 35.3 m-85 -167.72 106.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -85.97 96.36 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -79.91 150.23 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -146.05 172.59 13.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 14.6 tp -129.51 157.68 41.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 4.6 mt -133.12 159.07 41.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -133.64 -179.69 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.85 124.76 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.18 -41.61 1.81 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.14 146.33 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -119.55 176.95 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.1 m -131.36 160.14 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.92 27.59 1.04 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -50.65 -36.94 37.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -45.28 -26.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 119' ' ' ALA . 49.2 tp -66.0 -43.64 87.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 122' ' ' LEU . 3.0 tp -54.94 -52.71 62.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.74 -38.35 86.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.18 . . . . 0.0 110.418 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.147 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.6 t90 -46.06 -64.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 107.955 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 123' ' ' LYS . . . -51.36 -53.77 33.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -27.06 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 14.0 t70 -87.55 117.72 68.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.04 5.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -55.0 -43.27 73.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.9 p -73.46 119.76 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.84 70.57 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.05 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.22 125.43 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt -43.72 158.23 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.05 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -121.73 155.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 t -82.23 163.76 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -87.15 -38.07 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 159.82 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.7 m -83.75 104.9 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.52 145.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 4.7 ttpt -135.12 164.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -107.47 117.81 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -103.08 -26.09 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -134.02 156.61 47.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -41.78 114.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -115.5 151.9 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.23 118.39 20.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.249 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.69 175.1 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.71 173.85 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.32 161.03 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.578 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -154.16 119.41 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 28' ' ' ARG . 8.9 tt -82.76 144.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.147 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -68.68 -49.75 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -39.79 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.1 mm-40 -41.87 -46.74 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -52.3 -59.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -49.93 -53.48 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 128' ' ' GLN . 30.5 t80 -51.82 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -55.92 -31.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 130' ' ' ARG . . . -68.26 -49.17 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 128' ' ' GLN . 7.6 t -70.39 -54.78 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' SER . 13.1 mm100 -38.4 -67.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 6.6 m-85 -60.83 -46.01 92.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -66.75 94.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -96.62 130.71 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t 64.52 112.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.54 -161.78 11.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 160.66 39.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.98 154.64 37.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 t -94.09 -58.66 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -157.62 124.34 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -50.77 -59.22 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.47 121.45 2.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 95.63 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.976 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.66 136.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -152.46 -140.58 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' CG1' ' CD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -39.04 -43.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.22 -65.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -160.37 34.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -77.45 129.34 77.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.0 7.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 81' ' ' PHE . 27.5 mt -41.11 -64.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.479 ' CD2' ' CG1' ' A' ' 8' ' ' VAL . 70.9 m-85 -79.55 55.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -52.95 6.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -72.35 -31.86 65.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.554 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -44.69 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 22' ' ' LEU . 37.9 t70 -109.77 157.18 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.49 -59.17 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -51.63 -33.67 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 125' ' ' VAL . 6.7 tp -72.11 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.6 mm? -64.7 -61.72 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -52.01 -44.39 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -54.83 -52.4 62.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.37 -21.89 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' HD12 ' A' ' 29' ' ' LEU . 51.1 t -74.14 -53.94 8.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 1.8 pt-20 -54.69 -25.93 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -70.7 -33.76 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' SG ' ' A' ' 26' ' ' CYS . 18.7 mt -40.3 116.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -94.11 140.15 22.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.03 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 m -151.15 168.35 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.68 165.52 27.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.232 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 31.0 m-85 -127.26 112.44 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -81.4 -168.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.43 143.26 50.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 66.78 37.66 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 16.8 m -106.29 114.96 29.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.7 m-85 -91.7 107.28 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.76 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.25 157.58 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 4.0 mtp180 -134.63 171.21 14.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -99.98 108.06 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.28 -19.16 8.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 19.7 p-10 -99.55 152.38 37.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.91 170.63 19.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' PRO . 15.2 t -112.47 109.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.79 -44.97 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.7 151.14 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB2' HD23 ' A' ' 86' ' ' LEU . 6.4 ttt -98.54 145.68 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -113.19 124.73 53.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 81.6 m-85 -105.48 101.3 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.18 123.37 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.8 mm -100.92 -47.79 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.21 103.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.21 -166.6 38.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.41 157.96 43.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -159.39 171.21 20.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.849 ' CD ' HD21 ' A' ' 109' ' ' LEU . 9.3 pt-20 -124.63 120.95 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.3 t -96.31 128.97 43.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.64 147.24 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -119.94 156.32 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.5 p -120.93 -56.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.48 133.42 45.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.88 -136.26 3.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.45 -91.89 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.25 -50.52 2.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 m -69.56 145.14 52.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.75 106.55 3.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -144.03 159.7 42.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -120.12 106.16 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.67 96.29 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -78.95 151.76 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 3.3 t -157.85 173.76 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' OG ' ' A' ' 74' ' ' SER . 6.0 tp -125.2 149.39 48.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.4 mt -112.63 114.65 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -174.67 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.75 120.62 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.41 -26.07 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.85 157.47 35.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.32 176.65 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.44 164.49 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.85 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -12.06 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.46 -33.95 70.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.6 tp -54.67 -57.18 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 122' ' ' LEU . 1.7 tp -42.34 -51.58 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.17 -42.78 88.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.903 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t90 -49.28 -56.62 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.021 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.87 -58.63 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -53.83 -23.65 13.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -73.58 115.43 41.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.89 5.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -56.99 -40.52 76.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -54.87 161.95 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -147.8 -56.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.53 -51.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -41.75 107.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.12 157.19 78.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.8 p -120.77 133.94 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.657 HG23 ' NE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -108.42 -13.5 14.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.657 ' NE ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -156.51 160.97 40.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m -99.84 113.29 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.7 t -107.57 152.14 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -147.08 150.1 34.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.01 111.92 23.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.849 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.49 -27.62 15.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 1.2 t -133.17 164.0 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.51 119.83 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 58' ' ' LEU . 2.5 t -112.28 154.25 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -141.01 106.46 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.34 175.17 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.31 166.39 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.87 160.86 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -146.07 122.47 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.3 tt -84.85 143.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -66.09 -49.86 66.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.15 -66.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -51.96 -38.15 55.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.965 HD11 HD12 ' A' ' 87' ' ' LEU . 1.2 tt -61.28 -69.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -45.18 -48.08 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -51.1 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.675 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -57.43 -35.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -49.07 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -39.49 -51.36 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -46.57 22.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.48 85.41 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 99.75 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.7 p -45.78 159.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -67.22 129.1 28.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.48 5.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.06 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.0 p -167.16 133.96 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.108 . . . . 0.0 110.989 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -161.58 158.12 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.92 169.67 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.88 -108.45 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 45.9 74.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -172.11 126.21 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.09 -161.26 26.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t 63.97 73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -87.55 78.33 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.83 33.7 15.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.591 HG11 ' CD2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -69.41 126.24 92.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.58 5.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 81' ' ' PHE . 35.3 mt -40.65 -64.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' HG11 ' A' ' 11' ' ' VAL . 14.6 m-85 -77.95 56.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -49.36 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -82.98 -32.67 26.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.892 ' HG2' HD23 ' A' ' 21' ' ' LEU . 2.6 mtm -51.61 145.75 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.13 158.03 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -45.31 -57.71 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.9 -34.23 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.892 HD23 ' HG2' ' A' ' 17' ' ' MET . 9.4 tp -76.5 -30.96 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.9 mm? -65.24 -57.12 9.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.78 -50.38 70.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -50.5 -52.18 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.683 HG13 HG11 ' A' ' 125' ' ' VAL . 25.9 mt -64.72 -42.75 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 6.8 t -53.06 -51.39 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -25.64 15.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -72.75 -39.98 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 117' ' ' LEU . 16.3 mt -43.49 114.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.65 154.69 37.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.45 163.48 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.65 165.18 28.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.576 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 34.8 m-85 -119.69 111.05 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -87.34 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 141.92 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 71.62 14.13 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -90.73 113.62 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 21.9 m-85 -94.7 124.93 39.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.0 -55.42 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' ARG . 17.9 m -134.34 150.57 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.48 165.15 22.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 123.67 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.58 -36.42 4.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -87.8 152.41 51.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.57 118.1 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -88.94 -41.33 12.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.77 153.86 46.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.862 ' HB2' HD23 ' A' ' 86' ' ' LEU . 16.1 ttt -106.02 140.45 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.3 mm? -110.74 130.58 55.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 8.1 m-85 -106.82 101.18 10.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.36 121.41 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 12.2 mm -97.85 -43.92 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -173.62 104.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.44 -159.24 24.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -142.49 157.06 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -160.12 171.87 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.961 ' CD ' HD21 ' A' ' 109' ' ' LEU . 12.7 pt-20 -125.09 129.67 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -98.75 136.77 38.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.97 142.38 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 t -123.93 142.42 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.424 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.9 p -107.29 -37.62 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.43 65.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.34 -82.48 0.71 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.03 -157.7 22.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.46 -66.7 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.69 153.13 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.91 -135.18 4.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.03 140.34 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -101.78 117.37 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -84.45 149.18 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -157.12 173.61 16.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tp -130.37 154.19 47.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD22 ' OD2' ' A' ' 80' ' ' ASP . 4.4 mt -121.54 166.71 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.98 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 123.63 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.34 -41.71 1.64 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -68.99 143.17 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.65 165.08 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.58 159.95 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.02 47.99 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -32.78 73.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -38.12 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.119 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.0 tp -53.85 -48.34 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 122' ' ' LEU . 7.1 tp -50.14 -46.5 53.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -72.51 -38.51 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.05 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.1 t90 -48.11 -58.35 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.651 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -60.14 -44.65 94.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -61.89 -14.56 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -106.61 109.81 63.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.57 7.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -58.41 -35.95 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -76.52 77.69 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.93 129.79 9.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.16 178.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 57.44 106.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.0 mt -64.5 157.79 70.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 176.09 10.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.28 143.72 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 163.64 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -92.78 -33.19 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -152.8 164.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.7 m -93.15 112.09 23.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 58' ' ' LEU . 28.1 t -111.49 143.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.697 ' O ' HD23 ' A' ' 58' ' ' LEU . 4.7 ttpt -132.0 164.21 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.07 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.961 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -99.25 -23.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -135.59 155.09 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.98 121.52 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 58' ' ' LEU . 3.1 t -114.3 152.33 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 33' ' ' LEU . 24.0 mt-10 -132.53 106.38 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.576 ' HB3' ' HE2' ' A' ' 34' ' ' PHE . . . -160.36 174.89 13.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.56 173.88 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -108.77 168.38 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.4 121.03 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.2 tt -85.76 143.11 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.119 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -63.4 -48.62 77.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.9 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.469 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -48.11 -33.99 9.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 87' ' ' LEU . 1.3 tt -65.69 -69.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.3 ttpp -44.47 -43.99 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.47 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.834 ' O ' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -60.55 -25.8 35.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -74.04 -38.6 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -65.99 -52.03 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.1 mm100 -37.89 -36.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.8 -56.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 91.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -79.25 -51.67 9.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.94 93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.18 -171.35 35.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.6 p -153.91 109.67 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.8 p -100.4 144.15 29.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.8 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.97 155.06 22.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.49 -161.82 9.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.76 175.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m 63.01 136.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -69.25 0.54 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.0 m -102.05 65.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 100.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 41.83 45.04 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -80.53 127.29 76.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.11 9.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.845 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.1 mt -41.49 -64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -76.35 57.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -43.81 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.37 -27.82 38.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.29 157.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.2 m-20 -107.58 156.99 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.02 -56.64 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -51.29 -33.08 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 125' ' ' VAL . 7.9 tp -77.47 -31.15 53.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 8' ' ' VAL . 4.1 mm? -65.64 -57.32 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.59 -49.49 74.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.25 -64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' O ' HD21 ' A' ' 117' ' ' LEU . 64.8 mt -53.16 -33.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.2 m -64.92 -60.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -32.92 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.65 -40.02 93.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 117' ' ' LEU . 16.9 mt -40.66 121.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.36 148.8 35.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.56 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -155.64 164.47 38.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.01 152.95 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.8 m-85 -102.63 119.34 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -95.23 -169.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.09 141.01 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? 69.07 30.22 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -105.47 114.17 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 14.5 m-85 -93.61 120.73 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -78.52 -51.36 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 12.0 m -142.2 149.38 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 105' ' ' THR . 17.3 mtm180 -130.16 160.19 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 105.23 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.34 -29.88 5.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.77 156.75 61.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.366 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG12 HD22 ' A' ' 86' ' ' LEU . 38.3 t -117.88 103.1 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.84 -47.04 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.35 153.98 43.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -96.54 149.23 22.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.2 mm? -118.9 118.2 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.735 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 62.2 m-85 -95.12 108.12 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 53' ' ' ILE . 12.8 mm -63.36 120.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.1 mm -100.58 -48.44 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.68 131.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.01 -148.26 18.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.36 145.36 29.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.9 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -147.74 170.48 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.916 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.5 pt-20 -121.87 119.13 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 104' ' ' ARG . 96.7 p -98.63 136.63 38.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.97 154.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 t -131.98 149.3 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.502 HG21 ' CE2' ' A' ' 71' ' ' TYR . 3.4 t -171.19 59.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.18 165.2 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.88 -62.42 4.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.15 -168.53 27.23 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 76.8 -66.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.28 150.29 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.66 142.89 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.19 124.48 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.502 ' CE2' HG21 ' A' ' 63' ' ' THR . 26.4 m-85 -83.47 118.4 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -82.86 107.89 15.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.64 138.5 31.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -144.97 173.17 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.16 157.28 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -124.47 170.82 10.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -127.42 -171.93 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.36 121.73 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.53 -25.52 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.43 139.56 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.845 ' CE2' HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -115.82 170.23 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' HB2' HG21 ' A' ' 41' ' ' VAL . 1.4 p -120.42 156.6 31.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 108.277 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.31 53.58 2.74 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.9 p-10 -67.39 -19.78 65.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.68 -38.51 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.3 tp -50.19 -46.57 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.82 HD13 ' CE ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -51.62 -50.06 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.07 -40.87 82.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.039 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.0 t90 -45.75 -56.95 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.77 -50.16 71.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -56.83 -25.92 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -90.59 114.04 59.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -53.21 -39.82 64.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.19 145.0 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.86 -177.27 42.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.65 -74.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.08 122.27 32.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.68 157.13 40.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 169.08 23.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.37 134.98 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -75.21 154.9 37.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.07 -11.28 14.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.568 ' HG2' HG23 ' A' ' 106' ' ' VAL . 3.7 ttm180 -116.91 147.07 42.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 22.3 m -115.33 103.95 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 104' ' ' ARG . 38.3 t -105.83 155.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -141.61 161.66 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.37 114.85 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.95 -23.86 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.4 t -136.38 165.86 24.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -54.14 114.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.9 HG11 HD11 ' A' ' 58' ' ' LEU . 13.7 t -107.0 144.19 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.86 108.38 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.7 174.91 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.95 163.88 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -105.41 165.07 11.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.87 119.39 6.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -81.6 143.81 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.64 -49.4 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.52 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -47.16 -31.43 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 90' ' ' ALA . 1.5 tt -69.08 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.2 ttpp -44.31 -47.59 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 55.9 t80 -49.92 -64.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.14 -27.8 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.31 -58.14 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -68.83 -48.63 63.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.937 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 9.1 mm-40 -38.69 -46.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.42 -42.34 22.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.99 156.68 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -120.74 -52.55 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.0 p -178.35 117.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.44 128.37 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.79 5.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.9 t -151.27 144.64 24.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.2 t -152.65 -58.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.97 157.93 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 0.0 109.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -159.35 159.59 34.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.01 -147.22 4.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -124.09 106.04 10.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.63 158.78 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 -67.48 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.512 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.5 p -78.38 56.68 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -30.92 70.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 172.12 68.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.38 159.25 82.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.09 21.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 81' ' ' PHE . 90.9 mt -62.26 -61.58 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -81.83 53.16 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -53.0 6.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -86.12 -17.11 35.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.839 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -52.96 153.13 3.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -109.94 151.51 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.83 -50.02 5.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 32.1 mmt180 -55.21 -36.49 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.3 tp -70.92 -35.27 72.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.46 -58.37 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -54.46 -53.81 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.77 -68.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.4 mt -48.85 -30.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.14 -59.17 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -45.76 -30.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 9.5 mmp_? -66.22 -41.49 90.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.9 mt -39.53 111.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 151.47 37.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.24 2.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.9 m -145.62 163.93 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.87 164.56 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 39.2 m-85 -124.9 110.06 13.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -76.86 -168.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -71.22 146.99 48.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 62.21 33.91 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -106.05 113.8 27.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.19 119.41 31.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp -78.41 -58.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.58 146.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.96 176.8 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 108.27 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -22.12 10.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -91.07 152.43 44.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.06 165.74 30.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.38 105.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -78.78 -44.76 22.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.64 150.7 45.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.746 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.1 ttt -95.61 138.55 33.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mm? -106.72 131.48 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -113.33 101.44 9.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.593 HD11 HD13 ' A' ' 58' ' ' LEU . 17.6 mm -53.98 120.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -99.31 -50.14 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.04 99.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.74 -154.55 12.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -146.32 159.6 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.705 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -160.55 170.06 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.882 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -118.12 116.58 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 5.1 p -105.89 145.64 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.4 t -145.46 140.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -115.82 153.36 31.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.593 HG22 ' CE2' ' A' ' 71' ' ' TYR . 53.7 p -116.39 -51.2 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.29 -55.87 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.19 -101.65 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.66 -56.12 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 136.36 19.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -40.77 121.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.85 -101.7 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.23 167.27 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CE2' HG22 ' A' ' 63' ' ' THR . 9.5 m-85 -103.69 162.39 13.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -125.88 99.91 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 6.6 mpt_? -71.91 140.75 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 t -144.14 174.05 11.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -134.44 147.14 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.38 122.3 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -96.1 -172.17 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -66.55 126.84 30.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.43 -34.3 4.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.2 156.06 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -138.06 166.95 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 42.08 44.33 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -69.68 -32.97 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -46.16 -32.93 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.025 HD11 ' HB2' ' A' ' 119' ' ' ALA . 31.0 tp -56.46 -50.64 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 122' ' ' LEU . 1.8 tp -48.5 -48.47 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -39.06 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.081 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -52.26 -52.48 52.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -63.33 -48.44 77.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.47 -37.77 57.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.64 71.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.1 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -29.21 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.52 104.3 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.01 100.0 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p 177.88 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.962 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -135.39 143.04 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.53 156.56 1.49 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 169.25 23.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -120.6 127.78 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 p -76.9 130.23 37.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 103' ' ' THR . 1.1 t -93.22 51.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 151.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' SER . 43.7 m -116.22 132.15 56.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.445 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.4 t -131.6 151.37 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -143.29 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.66 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -102.83 -22.31 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' GLU . 6.9 t -135.56 152.18 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' THR . 5.7 tt0 -38.31 116.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 58' ' ' LEU . 5.1 t -105.02 154.56 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.0 107.16 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.2 174.91 13.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -108.21 169.98 8.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 168.55 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -156.83 119.95 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.0 tt -83.9 143.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.081 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -51.28 62.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.7 mm-40 -48.35 -40.48 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -58.3 -61.76 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 1.7 ttpp -50.31 -48.32 55.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.554 ' CZ ' ' HG3' ' A' ' 128' ' ' GLN . 58.0 t80 -51.66 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.699 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.06 -29.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -70.74 -52.99 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -52.73 34.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 5.5 mm-40 -40.33 -45.18 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -76.54 -55.63 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 40.5 84.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -121.06 114.61 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 111.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.95 -177.63 23.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.2 p -160.52 131.12 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 74.96 -58.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.81 162.06 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -113.92 125.85 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 157.76 9.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -133.5 80.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -146.98 100.62 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.11 54.13 0.29 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 8' ' ' VAL . 14.4 p -161.45 103.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -79.32 56.16 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.75 49.07 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.05 159.3 83.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.24 6.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 81' ' ' PHE . 65.1 mt -43.56 -63.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CE1' HD11 ' A' ' 87' ' ' LEU . 29.4 m-85 -83.01 53.23 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 -52.61 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -78.51 -16.8 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.795 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.35 146.79 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.51 157.54 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -45.53 -54.56 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 6.7 mmt180 -54.17 -30.5 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' MET . 3.3 tp -74.03 -35.82 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.19 -47.95 83.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.38 -53.22 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.14 -58.83 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.64 -28.48 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.21 -62.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.44 -25.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -70.52 -35.35 73.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 18.6 mt -40.69 115.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 153.07 37.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.16 155.75 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.38 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 17.1 m-85 -119.17 123.54 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.7 -175.69 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.82 135.28 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt 71.04 35.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.685 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 12.6 m -99.51 114.45 27.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 107' ' ' LYS . 13.2 m-85 -98.13 109.74 22.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 3.7 mp -75.58 -46.68 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 104' ' ' ARG . 4.1 m -136.96 142.99 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.83 139.61 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.64 120.83 20.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.77 -41.25 1.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 45' ' ' ASP . 24.9 p30 -92.4 150.7 40.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.23 25.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.66 119.31 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -89.31 -41.77 11.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.28 156.79 44.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.502 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.41 143.73 31.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 116' ' ' ALA . 2.0 mm? -113.58 119.13 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 41.9 m-85 -97.15 114.9 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 127.2 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.2 mm -105.72 -50.52 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.58 110.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.6 -159.53 32.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.45 160.91 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.751 HD11 HG11 ' A' ' 112' ' ' VAL . 2.4 mp -157.92 171.6 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.7 pt-20 -120.5 118.34 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -95.28 136.51 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CG ' ' A' ' 73' ' ' ARG . 2.5 t -143.74 150.6 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -155.03 141.05 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.7 p -102.54 -41.64 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.64 177.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.33 176.95 19.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 -82.45 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.14 95.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 m 58.81 172.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.57 157.4 7.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.525 ' CE1' ' OD1' ' A' ' 72' ' ' ASN . 39.9 p90 -101.48 166.33 10.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.786 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -74.94 113.18 11.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.525 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 12.6 m-20 -84.85 107.65 17.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 61' ' ' VAL . 4.5 mtm180 -90.46 144.47 25.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.6 m -154.89 171.56 19.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.3 tp -125.87 155.4 41.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.83 164.92 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -100.93 -176.97 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.87 123.97 27.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 13.14 45.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.69 171.24 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -147.08 154.09 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.584 ' SG ' HG21 ' A' ' 106' ' ' VAL . 97.8 m -123.36 166.97 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' CYS . . . 37.38 51.05 1.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -12.98 56.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -59.22 -15.51 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.2 tp -70.61 -53.88 14.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -47.69 -63.02 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -53.2 -47.57 68.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.817 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 33.7 t90 -45.37 -52.8 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.028 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.497 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.79 -55.45 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.93 -32.66 33.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.9 OUTLIER -79.07 114.34 43.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -25.44 11.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -71.1 -38.99 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.4 p 57.51 165.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.15 53.16 0.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.54 -64.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -123.26 -159.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.73 158.53 86.85 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -117.46 125.92 51.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -60.71 151.48 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -115.12 13.57 16.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.53 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.71 152.41 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.8 m -110.42 149.79 29.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.584 HG21 ' SG ' ' A' ' 82' ' ' CYS . 55.7 t -142.74 160.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 2.7 ttpt -151.86 147.47 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.12 116.39 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -96.28 -19.99 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -141.61 173.37 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 110' ' ' THR . 0.9 OUTLIER -60.49 119.42 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.751 HG11 HD11 ' A' ' 58' ' ' LEU . 2.4 t -122.27 128.14 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.16 115.71 30.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.8 174.84 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 72.3 m-85 -109.74 167.35 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.48 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -116.1 152.54 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -132.21 119.87 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.435 ' CG2' ' HG3' ' A' ' 121' ' ' GLU . 7.3 tt -82.76 142.84 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.855 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -58.69 -52.94 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -68.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 118' ' ' ILE . 3.7 mm-40 -51.8 -38.1 54.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -62.03 -69.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.4 ttpp -47.61 -43.13 25.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.85 -64.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -59.13 -36.64 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.49 -65.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -51.03 -50.66 58.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.036 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -40.42 -44.83 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -85.71 -55.31 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.03 124.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -169.76 88.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 t -169.4 -62.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 156.22 154.3 6.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.59 2.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.3 t 61.51 146.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -80.97 -58.95 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -54.16 142.22 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.0 117.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 171.61 52.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -40.19 120.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 101.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.98 65.18 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.63 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 7.2 p -128.28 -51.93 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' HG13 ' A' ' 8' ' ' VAL . 43.3 ttt180 -56.65 89.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.72 158.77 84.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.02 -31.78 5.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.1 mt -44.92 -64.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.63 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 15.2 m-85 -79.76 60.36 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -92.56 -53.82 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -86.28 -29.76 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.768 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.6 ttm -51.56 143.92 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -106.58 154.97 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.1 mt-10 -44.01 -60.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -46.51 -33.89 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.768 HD23 ' CG ' ' A' ' 17' ' ' MET . 13.4 tp -75.8 -33.64 60.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.1 mm? -64.25 -54.28 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -54.26 -53.29 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.39 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 62.6 mt -59.97 -34.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 48.4 m -68.66 -50.64 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.237 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -21.97 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -79.48 -36.03 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 117' ' ' LEU . 19.7 mt -39.81 127.31 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.3 152.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.46 161.41 41.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 108.259 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 1.5 tp -143.01 152.54 42.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 28.3 m-85 -107.01 114.61 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -89.5 -171.06 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.46 139.43 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 68.43 39.19 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.8 m -110.2 118.34 36.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.91 116.09 28.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.74 -56.41 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG11 ' CA ' ' A' ' 83' ' ' GLY . 29.8 m -135.86 159.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -135.72 129.83 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.53 123.56 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.53 -36.66 3.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -73.51 158.74 86.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 165.06 32.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 86' ' ' LEU . 47.8 t -119.4 112.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.82 -44.9 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.3 150.58 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -96.31 150.17 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.8 mm? -117.9 124.34 48.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 13.9 m-85 -101.87 102.04 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.87 117.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -95.37 -48.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -165.6 128.7 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.18 -153.02 24.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.13 154.78 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.1 mp -152.81 171.03 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.6 pt-20 -122.7 128.04 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -101.18 137.07 40.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -145.25 157.2 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -142.31 160.48 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 71' ' ' TYR . 1.2 t -179.64 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.98 149.34 23.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.63 -146.14 17.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.32 45.89 3.17 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 175.35 147.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -129.89 126.99 39.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.03 -163.52 32.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.36 152.98 2.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 0.759 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 63' ' ' THR . 6.6 m-85 -85.04 115.4 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -80.82 94.44 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.21 145.71 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -155.41 171.39 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 58' ' ' LEU . 12.7 tp -131.18 156.98 44.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 9.9 mt -123.18 164.38 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -136.35 -179.04 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.25 121.07 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.53 -40.58 1.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.63 145.49 53.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -118.2 175.07 5.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 111.031 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 91.7 m -131.2 169.68 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.472 ' CA ' HG11 ' A' ' 41' ' ' VAL . . . 38.74 31.73 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.483 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.14 -40.59 85.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.02 -27.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.971 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.6 tp -64.79 -44.52 89.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -51.46 -55.6 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -59.96 -46.79 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.008 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 31.7 t90 -41.56 -59.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 107.995 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.25 -56.69 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.1 mm? -52.0 -27.66 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -88.42 113.59 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.2 4.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -53.69 -42.75 68.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 89' ' ' TRP . 7.2 m -53.74 -59.56 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.983 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.49 -94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.39 177.11 8.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 62.25 113.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.89 157.7 85.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -121.55 145.56 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -73.06 159.2 33.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.86 -17.68 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.31 158.68 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 m -101.52 106.21 17.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.87 145.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 156.83 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.95 117.01 33.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -101.13 -26.52 13.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -136.26 161.73 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.94 111.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 110' ' ' THR . 24.7 t -102.43 141.1 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.07 107.2 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.59 175.29 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -113.74 171.52 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.48 160.14 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.94 119.75 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.7 tt -82.36 145.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.008 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -52.39 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -39.7 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.4 mm-40 -46.96 -37.09 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.6 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 4.4 ttpp -48.67 -42.15 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.14 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.689 HG13 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.45 -28.24 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -68.08 -57.34 6.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p -61.62 -55.93 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.963 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -37.92 -61.73 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.539 ' CD1' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -44.71 -49.01 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.06 98.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -146.42 -56.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.4 p -105.8 88.12 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 56.47 179.96 0.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 81.36 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.02 80.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 125.69 26.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.36 166.53 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 105.54 0.21 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -79.92 -51.58 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.95 146.71 47.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.48 -161.73 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG22 ' HA2' ' A' ' 79' ' ' GLY . 25.0 t 70.19 -60.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -84.44 45.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.25 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.527 HG23 ' H ' ' A' ' 14' ' ' PHE . 17.4 m -96.0 158.94 33.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.32 17.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.823 ' HB3' HD23 ' A' ' 87' ' ' LEU . 21.5 mt -65.37 -63.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' H ' HG23 ' A' ' 11' ' ' VAL . 12.9 m-85 -80.61 57.22 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.07 -53.15 5.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -105.67 14.91 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.639 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -60.88 141.38 57.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . 38.1 t70 -109.72 141.95 41.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.93 -61.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -34.48 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.972 HD21 ' CE1' ' A' ' 129' ' ' PHE . 8.3 tp -73.0 -37.6 66.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -56.94 -55.91 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.56 -50.17 74.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.34 -60.81 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 77.1 mt -56.52 -30.33 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -68.49 -48.03 65.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -19.16 49.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.75 -36.02 57.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 117' ' ' LEU . 13.8 mt -47.32 127.6 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.56 156.39 42.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.1 m -150.23 159.74 44.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -142.45 155.34 45.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 52.1 m-85 -108.91 110.33 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -84.43 -171.08 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt 69.95 39.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 15.7 m -111.43 114.34 27.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.6 m-85 -99.26 105.38 17.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -54.45 -65.68 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.32 139.83 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.25 133.28 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.76 123.27 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.98 -34.45 4.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -95.71 157.11 36.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.34 110.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.82 -44.26 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.99 152.32 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.893 ' HB2' HD23 ' A' ' 86' ' ' LEU . 7.1 ttt -96.8 148.66 22.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.588 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -115.13 127.97 55.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 33.1 m-85 -110.25 103.44 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 mm -59.16 122.48 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -100.74 -49.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.36 126.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.586 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 152.04 -160.24 28.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.39 156.67 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 112' ' ' VAL . 2.1 mp -159.38 171.48 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.856 ' CD ' HD21 ' A' ' 109' ' ' LEU . 8.6 pt-20 -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 76' ' ' LEU . 45.2 t -100.73 136.53 40.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.33 150.7 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -138.43 137.85 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.464 HG22 ' CE2' ' A' ' 71' ' ' TYR . 46.6 p -93.54 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 49.36 94.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.09 127.89 9.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.73 47.76 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.43 -58.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -141.11 165.49 27.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -119.65 70.37 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -149.4 132.49 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' CE2' HG22 ' A' ' 63' ' ' THR . 10.5 m-85 -86.24 112.92 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.93 101.18 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -78.23 139.64 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m -143.7 172.29 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tp -123.68 152.31 42.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 60' ' ' SER . 14.3 mt -117.6 162.77 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -131.78 -177.11 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.9 120.63 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.469 ' HA2' HG22 ' A' ' 8' ' ' VAL . . . 125.44 -33.89 3.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 137.49 51.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 p90 -119.1 155.25 31.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.0 m -113.95 172.25 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.41 34.71 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.8 64.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -57.05 -20.63 25.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.996 HD11 ' HB2' ' A' ' 119' ' ' ALA . 43.8 tp -74.79 -41.35 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.823 HD23 ' HB3' ' A' ' 13' ' ' LEU . 8.4 tp -56.62 -50.48 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -37.77 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.747 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 27.8 t90 -42.03 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 107.947 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 123' ' ' LYS . . . -47.61 -49.53 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -52.23 -37.74 56.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.92 114.7 46.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.84 2.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -53.69 -38.87 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 m -48.94 159.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . 155.26 -159.11 28.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 96' ' ' GLY . 0.9 OUTLIER -141.51 149.08 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mt -47.12 157.15 0.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.571 ' HG3' ' CD1' ' A' ' 89' ' ' TRP . 18.4 Cg_endo -74.97 -179.73 5.27 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -120.43 123.19 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -79.92 127.63 32.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 103' ' ' THR . 0.8 OUTLIER -90.59 21.18 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 158.55 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.7 m -144.31 98.55 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 107' ' ' LYS . 99.0 t -119.84 164.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -155.46 150.29 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.48 110.57 21.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.856 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -97.06 -23.55 16.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -139.09 155.54 47.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.92 129.77 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.83 164.24 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.85 115.32 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.38 174.41 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.96 173.46 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.09 153.92 29.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -137.63 119.59 15.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.9 tt -83.98 143.8 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.996 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -67.06 -47.17 72.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -70.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.2 mm-40 -47.87 -28.67 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -65.57 -68.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -40.44 -47.5 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -50.13 -58.77 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.871 HG22 HD12 ' A' ' 21' ' ' LEU . 1.4 p -68.35 -28.61 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -49.89 -36.53 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.73 -23.33 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 125' ' ' VAL . 5.7 mm-40 -76.44 -10.98 59.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.972 ' CE1' HD21 ' A' ' 21' ' ' LEU . 3.6 m-85 -44.62 -49.51 10.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -46.13 157.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.42 149.93 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.2 m -130.0 141.31 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 104.13 -174.23 22.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.2 t -111.02 -57.9 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -57.75 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.08 -58.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.48 -68.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -54.75 100.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -154.29 101.76 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.75 174.4 28.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.6 t 60.46 64.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.13 87.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.34 42.85 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.5 t -78.36 140.73 60.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.91 -34.06 4.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 81' ' ' PHE . 22.7 mt -41.43 -64.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 57.8 m-85 -80.28 60.09 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.97 -50.92 8.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -77.03 -36.03 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.57 ' SD ' HD23 ' A' ' 21' ' ' LEU . 1.8 mmt -37.44 149.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' LEU . 29.5 t0 -109.74 154.29 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.03 -58.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -51.15 -35.62 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.658 HD11 HG13 ' A' ' 125' ' ' VAL . 13.8 tp -70.57 -37.28 73.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.68 -51.3 70.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.38 -47.87 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.19 -52.04 29.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 28.0 mt -67.45 -24.28 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 29' ' ' LEU . 9.4 t -72.94 -57.54 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 3.2 pt-20 -52.04 -27.24 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.04 -33.48 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.283 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 115' ' ' PHE . 18.3 mt -41.09 120.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -104.77 153.36 39.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 31' ' ' PRO . 13.2 m -150.8 154.01 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.3 154.22 44.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.0 m-85 -112.18 132.5 54.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -105.6 -168.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt 71.01 35.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 66.6 m -104.44 115.23 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 2.9 m-85 -99.35 106.91 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.8 m -133.57 151.78 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -132.27 171.43 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 103.33 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.19 -35.78 3.39 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.566 1.166 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -77.46 148.82 77.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.02 173.0 15.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 100' ' ' PRO . 16.7 t -117.74 115.5 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.21 -41.01 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.15 152.09 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.718 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.9 ttt -96.87 147.51 23.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.3 mm? -118.15 117.9 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 77.5 m-85 -96.11 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 53' ' ' ILE . 5.0 mm -56.2 117.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -97.37 -52.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.47 96.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.18 -159.62 17.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.84 156.67 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 57' ' ' ARG . 3.2 mp -162.54 171.71 16.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.951 ' CD ' HD21 ' A' ' 109' ' ' LEU . 10.7 pt-20 -128.87 126.9 40.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -101.43 138.34 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.12 152.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -122.4 151.79 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.5 p -124.88 -51.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 110.424 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 162.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -159.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.92 38.4 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.18 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.5 m 65.0 99.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.33 79.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.24 171.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.0 137.76 49.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -94.49 96.84 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.44 147.44 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.4 m -155.24 171.59 19.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.75 154.4 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.58 159.05 24.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -130.72 -168.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -69.73 121.65 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.34 -30.38 4.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.93 140.54 40.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -119.2 153.06 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.21 161.41 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 50' ' ' MET . . . 37.54 59.95 1.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -32.93 57.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -42.95 -28.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 119' ' ' ALA . 23.7 tp -59.31 -52.78 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -45.65 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -57.96 -46.65 84.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 1.096 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 47.6 t90 -44.96 -59.18 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -58.05 -41.85 84.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.435 ' O ' ' NH1' ' A' ' 130' ' ' ARG . 0.4 OUTLIER -67.22 -10.45 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -113.3 107.71 53.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.55 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -58.58 -37.97 76.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.22 78.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 -59.3 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.8 t -65.51 150.84 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 67.37 110.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.2 157.87 67.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.99 160.58 40.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 p -117.34 127.25 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 144.03 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 p -101.09 23.31 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 151.28 14.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 106' ' ' VAL . 17.9 m -106.67 155.86 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 105' ' ' THR . 40.8 t -157.27 145.8 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -139.57 150.47 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -88.61 114.57 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.951 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.86 -24.68 14.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.9 t -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.46 117.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.61 HG11 HD11 ' A' ' 58' ' ' LEU . 7.4 t -109.33 145.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.24 107.67 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.44 175.03 13.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 29' ' ' LEU . 81.7 m-85 -107.98 170.15 8.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -114.55 153.08 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -138.62 119.68 14.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -83.69 141.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 1.096 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -61.92 -45.97 91.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 118' ' ' ILE . 4.8 mm-40 -49.97 -38.62 37.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -61.47 -69.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.2 ttpp -45.39 -47.19 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 45.0 t80 -50.97 -60.93 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.658 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -65.23 -25.96 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -68.93 -45.15 71.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 128' ' ' GLN . 2.9 m -82.58 -54.56 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 36.6 mm-40 -37.26 -55.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.641 ' CD2' HD13 ' A' ' 21' ' ' LEU . 5.0 m-85 -61.84 -55.76 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -38.73 152.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 66.62 129.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.8 t 70.05 84.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.51 -157.96 10.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.3 p -175.01 133.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 m 63.4 131.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' CD1' ' A' ' 81' ' ' PHE . 7.4 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -81.04 57.86 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.18 -47.67 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -83.55 -32.79 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.794 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -51.51 152.67 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.92 158.2 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.7 mt-10 -48.11 -54.94 11.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -49.66 -35.12 20.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD11 HG13 ' A' ' 125' ' ' VAL . 13.4 tp -74.38 -29.8 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.3 mm? -68.9 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -48.8 -49.98 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -53.24 -52.65 58.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.13 -36.49 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 30.2 m -64.73 -49.02 72.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.95 -21.62 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -32.92 51.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.0 mt -41.71 127.93 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -112.54 152.81 44.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -155.57 155.63 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.49 153.65 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 25.2 m-85 -104.97 139.16 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -116.55 -171.48 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.41 136.15 57.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 70.68 35.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -105.71 115.09 29.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.58 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 11.7 m-85 -91.72 120.2 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 40' ' ' LEU . 8.3 mp -85.46 -57.68 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 82' ' ' CYS . 13.3 m -130.2 150.19 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NE ' ' HB3' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -129.78 128.7 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -70.64 125.61 27.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.18 -30.73 9.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.89 158.85 49.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 t -116.63 120.89 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.05 -42.59 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 154.01 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 86' ' ' LEU . 3.9 ttt -99.9 150.06 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.551 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -119.21 119.54 34.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 83.4 m-85 -97.15 104.75 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 53' ' ' ILE . 15.7 mm -58.27 118.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.91 -48.85 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.63 109.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.2 -156.43 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -139.43 160.57 39.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 0.789 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.691 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -160.83 171.26 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.914 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.2 pt-20 -127.61 131.11 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.54 130.91 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 2.5 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -157.84 171.9 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 tp -123.56 153.88 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.1 mt -107.79 149.06 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.4 ptmt -83.7 -172.13 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 8.4 tp10 -79.39 136.39 36.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 9.28 75.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.68 130.17 39.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 p90 -112.01 144.55 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.494 ' HB3' HG21 ' A' ' 41' ' ' VAL . 74.4 m -113.27 168.2 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.22 33.33 0.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -23.77 45.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.69 -30.57 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 119' ' ' ALA . 25.8 tp -58.96 -47.74 84.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.627 HD12 HD11 ' A' ' 122' ' ' LEU . 6.4 tp -47.56 -51.35 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.72 -42.82 85.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.052 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 57.4 t90 -46.51 -58.33 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.37 -40.35 77.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -14.21 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -118.69 97.03 50.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 -177.13 3.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -121.19 158.88 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.4 t -85.38 163.14 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 p -88.34 -29.17 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 174.5 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -102.71 113.66 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.09 149.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 9.1 ttpt -137.39 171.68 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.08 111.91 23.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.914 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -95.03 -25.1 16.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -135.22 165.01 26.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.61 113.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 58' ' ' LEU . 14.7 t -105.03 152.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -129.14 107.11 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.45 174.93 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -111.11 172.9 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.59 20.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -145.97 122.05 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 121' ' ' GLU . 6.7 tt -87.63 143.02 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -64.01 -49.9 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.91 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.1 mm-40 -49.63 -37.43 28.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.627 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.42 -69.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.52 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -42.63 -48.17 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.77 -61.56 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.813 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -63.99 -27.24 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -67.39 -60.29 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.5 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CA ' ' HB2' ' A' ' 17' ' ' MET . 21.9 m-85 -83.38 54.84 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -52.56 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -101.77 17.28 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB2' ' CA ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.23 140.06 38.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.7 m-20 -109.67 151.33 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -45.82 -45.28 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.88 -33.96 62.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 125' ' ' VAL . 7.3 tp -80.16 -28.49 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 3.9 mm? -68.6 -57.27 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.74 -53.56 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.63 -62.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.4 mt -54.11 -35.52 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 1.3 m -65.4 -44.39 87.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.5 -18.68 42.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 3.0 mpt_? -82.02 -34.98 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.0 mt -43.29 121.9 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 154.02 39.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.79 3.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.5 m -148.83 157.56 43.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 113' ' ' GLU . 1.5 tp -140.07 153.73 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 40' ' ' LEU . 21.1 m-85 -106.57 111.59 24.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 1.2 p -91.58 -168.51 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.77 139.3 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt 68.98 26.88 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -102.5 117.69 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.19 126.53 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 58' ' ' LEU . 6.8 mp -87.94 -51.45 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.14 157.58 37.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 156.17 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.55 104.52 16.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.97 -27.18 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -89.82 156.28 47.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' PRO . 45.2 t -111.46 103.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -75.02 -45.1 44.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.84 150.61 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.916 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.7 ttt -95.29 141.78 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -109.53 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -111.66 101.37 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.11 115.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.9 mm -90.26 -43.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 119.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.765 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.49 -162.27 35.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.598 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -131.28 155.39 47.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 HG11 ' A' ' 112' ' ' VAL . 4.0 mp -158.38 171.2 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.824 ' HB3' HD11 ' A' ' 109' ' ' LEU . 9.5 pt-20 -125.05 129.3 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -95.55 125.67 40.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.1 m -156.93 172.83 17.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.31 157.63 41.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.46 165.44 17.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -172.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 7.1 pt-20 -75.12 117.97 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.97 -19.36 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 135.04 34.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.5 p90 -113.65 170.03 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.9 m -127.9 164.7 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.85 50.95 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -72.64 -37.29 68.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.21 -35.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.021 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -53.87 -47.79 70.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 122' ' ' LEU . 1.4 tp -49.6 -54.77 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -64.13 -41.49 97.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.063 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 25.7 t90 -48.33 -54.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -61.57 -38.33 87.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.9 OUTLIER -74.19 -4.73 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -128.63 88.91 50.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.02 171.24 18.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.9 t -121.22 142.79 49.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -62.71 161.79 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.2 p -98.47 -13.55 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -154.7 170.52 21.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 m -110.01 104.31 13.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.83 153.21 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -137.29 169.9 17.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 35' ' ' THR . . . -109.31 112.84 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -95.84 -27.17 15.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -137.11 169.38 17.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.467 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.2 tt0 -60.73 122.47 14.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.765 HG13 ' HA3' ' A' ' 56' ' ' GLY . 12.1 t -125.78 132.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.8 tt0 -103.14 118.49 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.06 175.23 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -117.45 165.79 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.71 168.8 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -155.17 119.34 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -82.92 143.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.063 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.56 -50.47 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.509 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -46.34 -46.47 18.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 87' ' ' LEU . 1.4 tt -55.06 -53.42 56.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 0.5 OUTLIER -57.71 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -47.31 -60.25 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -62.95 -31.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -64.53 -50.38 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 81' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 1.045 ' CD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-85 -77.39 58.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -52.2 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -101.55 -14.49 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.2 113.13 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.59 154.51 39.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -47.39 -48.94 25.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -36.78 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 HG13 ' A' ' 125' ' ' VAL . 9.0 tp -75.5 -37.46 60.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.045 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.4 mm? -64.22 -55.72 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.46 -46.79 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -59.09 -36.63 75.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.521 ' O ' HD21 ' A' ' 117' ' ' LEU . 44.6 mt -77.43 -29.24 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 99.2 m -69.17 -55.72 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.249 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 4.1 pt-20 -50.59 -28.4 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -69.35 -35.59 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 117' ' ' LEU . 15.7 mt -39.97 126.33 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -105.94 154.26 39.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 107.6 2.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.6 m -150.68 158.37 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -142.69 151.95 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 19.8 m-85 -102.67 114.04 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.72 -168.32 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -71.96 144.0 49.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt 63.08 40.07 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -112.44 123.69 50.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.23 113.77 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 34' ' ' PHE . 9.6 mp -72.63 -58.85 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 104' ' ' ARG . 35.3 m -131.06 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 151.44 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -92.21 105.54 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.92 -27.95 6.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 158.24 43.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.5 Cg_endo -74.92 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 100' ' ' PRO . 21.2 t -113.33 115.56 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.31 -42.57 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 152.67 41.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.754 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.2 ttt -95.91 142.51 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.582 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -109.82 124.73 51.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.624 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.4 m-85 -104.57 101.49 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 53' ' ' ILE . 16.7 mm -60.75 119.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.2 mm -97.0 -48.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -168.12 145.06 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.22 -148.8 19.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.554 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.94 158.08 43.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -157.57 170.77 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.926 ' HB3' HD11 ' A' ' 109' ' ' LEU . 6.3 pt-20 -123.65 118.56 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -100.76 139.25 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.1 m -148.59 172.03 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tp -127.35 155.65 43.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 mt -124.96 158.72 32.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -137.07 178.85 6.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.18 127.72 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.23 -32.7 5.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.04 143.5 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -119.43 161.7 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.6 m -120.49 162.45 19.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.35 46.42 1.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.07 -36.19 82.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -41.38 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.103 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -52.02 -47.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 HD11 ' A' ' 122' ' ' LEU . 2.4 tp -51.51 -56.72 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -63.42 -43.24 98.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.026 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 41.4 t90 -42.41 -63.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.519 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.09 -50.19 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.53 -37.51 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -116.03 89.5 25.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.08 13.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.1 Cg_endo -75.0 168.93 23.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.95 128.08 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 162.61 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.0 p -111.82 -0.19 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -163.13 147.12 11.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.7 m -97.52 148.32 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -136.95 144.14 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.82 156.48 44.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.65 117.32 34.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -99.32 -24.15 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.616 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -136.14 167.06 21.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.0 120.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 110' ' ' THR . 27.6 t -112.18 151.01 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.97 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.76 174.7 13.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -113.35 173.95 6.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.0 165.02 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.34 119.89 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.4 tt -84.38 144.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.103 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.02 -50.42 66.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -67.52 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -49.2 -42.15 39.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.803 HD11 HD12 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -60.12 -63.62 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.519 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -47.22 -50.37 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -48.89 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -62.86 -28.68 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -66.17 -48.48 70.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 84' ' ' ASP . 53.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.415 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 19.0 m-85 -82.17 57.87 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.28 -53.63 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.29 17.25 23.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -80.5 139.94 36.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' LEU . 49.8 m-20 -97.95 146.8 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.59 -40.06 5.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.24 -40.73 86.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 HG13 ' A' ' 125' ' ' VAL . 10.0 tp -65.65 -39.32 91.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -65.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 26' ' ' CYS . 39.0 t0 -44.44 -61.96 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -42.42 -64.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -51.62 -32.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.4 -65.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.33 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -45.24 -34.32 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mmt-85 -63.02 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 117' ' ' LEU . 20.1 mt -38.07 119.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 153.42 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.3 m -148.64 160.83 42.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -142.24 150.85 41.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 22.6 m-85 -104.59 110.98 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -85.52 -168.97 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.39 139.93 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt 68.73 29.46 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.1 m -97.2 113.85 25.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.79 114.94 26.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.8 mp -75.05 -59.45 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 104' ' ' ARG . 15.6 m -126.71 150.1 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.57 128.24 42.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 107.58 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.22 -24.5 6.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.147 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -99.75 159.04 31.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.85 104.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -74.47 -46.17 41.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.9 149.99 46.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.856 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.9 ttt -95.53 145.49 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mm? -111.01 129.03 56.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.712 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.0 m-85 -109.58 103.81 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 53' ' ' ILE . 17.7 mm -61.8 123.69 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.69 -45.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.69 117.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.04 -155.38 26.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -141.99 157.44 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -158.1 171.56 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.884 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.5 pt-20 -120.9 117.69 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -95.52 132.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 mpt_? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 p -157.0 170.39 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.69 154.52 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.1 mt -112.94 164.32 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -122.87 -172.51 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.13 125.71 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.67 36.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 123.51 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 13' ' ' LEU . 13.0 p90 -104.37 163.45 12.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.3 m -125.3 167.07 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.355 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.23 55.91 2.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.644 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -77.28 -27.85 53.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.72 -21.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.4 tp -72.5 -46.17 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.938 HD12 HD11 ' A' ' 122' ' ' LEU . 3.4 tp -52.56 -48.04 66.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -39.95 77.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.995 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 50.5 t90 -47.08 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -50.21 -49.76 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.3 mp -52.6 -29.84 27.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.27 111.72 57.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.03 8.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.5 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.457 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.02 164.31 33.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -121.16 125.18 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -70.09 143.42 52.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.3 p -103.89 24.85 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.45 151.94 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.3 m -116.44 136.59 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.6 t -135.05 154.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.167 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.56 157.78 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.96 113.17 26.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -96.24 -21.86 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 2.4 t -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.455 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.5 tt0 -68.19 113.03 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 58' ' ' LEU . 41.3 t -107.76 138.52 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.88 109.95 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.41 174.97 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 53.0 m-85 -113.87 169.4 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.49 165.19 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.85 121.92 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.8 tt -83.52 144.11 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.56 -50.18 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -39.98 -67.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.464 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.95 -44.73 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -50.62 -53.91 27.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.624 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -57.48 -51.93 67.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.26 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -51.37 -38.82 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -62.49 -68.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 44.5 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' HB3' HD21 ' A' ' 22' ' ' LEU . 5.1 m-85 -80.53 57.73 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -51.15 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -88.53 -27.62 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.644 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -48.61 161.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.48 156.33 18.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -53.13 -52.66 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -45.89 -35.06 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.644 HD23 ' CG ' ' A' ' 17' ' ' MET . 3.8 tp -72.65 -38.35 67.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 14' ' ' PHE . 4.4 mm? -62.13 -51.34 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.16 -52.5 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -58.73 -58.62 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.5 mt -53.99 -33.01 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 14.7 m -71.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -28.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -70.93 -37.32 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 117' ' ' LEU . 19.4 mt -38.2 119.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.97 152.3 38.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.778 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.7 m -148.76 160.64 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.43 153.4 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 30.5 m-85 -113.18 110.46 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -80.31 -168.23 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.85 140.87 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 3.8 mtmp? 70.78 30.08 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 5.5 m -97.01 120.86 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -102.48 105.31 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -65.45 -58.76 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 m -134.99 154.13 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.21 167.28 20.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.64 103.43 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.91 -34.06 4.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -78.57 153.12 78.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.95 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' PRO . 44.0 t -117.33 103.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.87 -45.63 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.54 149.57 42.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.728 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -95.84 148.38 22.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -117.07 117.55 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 64.7 m-85 -94.11 101.78 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 53' ' ' ILE . 30.9 mm -57.92 120.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -98.79 -54.61 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.84 127.7 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.15 -149.74 20.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.19 146.67 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 112' ' ' VAL . 4.4 mp -147.34 171.5 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.915 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.1 pt-20 -125.23 124.53 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -97.85 132.49 43.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 p -154.02 173.79 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.1 tp -134.97 154.95 51.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 80' ' ' ASP . 13.7 mt -119.25 158.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -172.14 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -71.01 121.85 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.4 -30.57 4.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.07 140.36 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.738 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.456 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.3 -174.62 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.36 163.53 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.86 40.31 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HA ' ' HE2' ' A' ' 50' ' ' MET . 0.3 OUTLIER -58.57 -40.24 82.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -44.67 -25.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.927 HD11 ' HB2' ' A' ' 119' ' ' ALA . 17.4 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.607 HD13 ' HE1' ' A' ' 50' ' ' MET . 0.8 OUTLIER -49.22 -50.25 39.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -40.15 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.962 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 34.4 t90 -51.57 -54.17 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -64.61 -31.83 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -81.74 3.39 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -133.95 97.34 15.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.74 9.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 163.63 34.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -120.38 130.69 54.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -65.91 159.78 24.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 p -116.25 31.86 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.8 152.09 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 106' ' ' VAL . 94.7 m -109.14 153.47 23.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 105' ' ' THR . 45.2 t -153.32 151.43 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -144.34 146.09 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -88.14 112.84 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.915 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -94.35 -22.17 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -138.18 169.37 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.17 112.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 110' ' ' THR . 13.5 t -106.94 142.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -124.27 110.92 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.4 174.9 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -110.38 166.08 11.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.2 156.2 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.75 120.04 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -85.18 143.27 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.962 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.09 -51.7 65.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -40.11 -69.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.475 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.6 -34.06 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.2 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -41.85 -45.67 3.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.29 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.73 -39.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -60.38 -52.55 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.768 ' CD1' HD11 ' A' ' 22' ' ' LEU . 22.1 m-85 -82.61 54.77 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -52.53 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -104.31 13.82 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mtp -94.28 118.26 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -62.84 157.59 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.83 -47.19 80.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -49.7 -29.84 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 125' ' ' VAL . 12.0 tp -73.52 -36.12 65.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.5 mm? -62.93 -61.87 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.62 -45.35 63.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -56.78 -56.8 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mt -62.7 -22.97 31.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 t -75.56 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.76 -26.26 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 1.6 mmt85 -71.52 -38.97 71.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 117' ' ' LEU . 18.8 mt -37.82 123.33 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -103.57 149.02 36.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 p -148.87 168.79 22.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.54 163.99 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 43.0 m-85 -124.9 112.68 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -79.13 -168.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.83 144.9 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 68.42 29.71 5.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 m -96.38 117.46 30.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 5.3 m-85 -99.02 104.38 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -62.39 -55.23 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.3 154.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -128.1 165.11 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.91 100.12 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.07 -30.16 5.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 15.7 p-10 -81.56 155.37 71.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 100' ' ' PRO . 22.5 t -120.0 101.74 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -46.83 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.45 153.07 50.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.598 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.3 ttt -97.71 145.81 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -112.05 130.16 55.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.589 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 19.8 m-85 -111.56 101.44 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 mm -55.3 125.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.8 mm -100.76 -44.7 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.11 98.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.08 -149.08 6.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.673 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -150.03 159.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.753 . . . . 0.0 110.277 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 112' ' ' VAL . 3.4 mp -162.35 171.99 16.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.827 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.6 pt-20 -119.09 126.79 52.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -101.53 127.06 48.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.8 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.774 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -161.34 169.84 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.45 154.66 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 mt -121.6 156.73 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -136.96 -179.21 5.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 125.21 18.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.79 -30.47 5.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.71 142.56 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -115.97 174.4 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.1 m -134.56 161.91 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 108.266 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.43 56.72 2.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.87 -29.77 44.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -45.74 -26.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 28.1 tp -65.57 -54.66 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 122' ' ' LEU . 10.3 tp -42.76 -54.56 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.19 -44.02 93.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.036 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 45.2 t90 -47.62 -62.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -54.52 -47.77 72.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.825 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -54.04 -27.61 33.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.93 112.64 62.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -29.69 7.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 159.14 41.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -120.6 125.76 48.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -67.41 153.2 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -107.17 24.64 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.29 153.13 15.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 106' ' ' VAL . 8.6 m -109.01 155.0 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' THR . 32.6 t -153.31 145.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.64 146.75 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.29 111.02 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.45 -26.97 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.5 t -134.85 155.91 49.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -40.23 112.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 58' ' ' LEU . 2.7 t -103.94 142.46 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -128.49 107.64 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.36 174.79 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 m-85 -111.12 161.31 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.83 160.03 14.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -143.74 119.8 10.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -82.12 142.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.036 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.85 -46.02 83.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 5.5 mm-40 -50.76 -34.42 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 90' ' ' ALA . 1.4 tt -63.61 -69.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.67 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 1.7 ttpp -40.68 -47.62 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.35 -67.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.602 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -56.3 -32.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.825 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -70.28 -23.81 62.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 38.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.53 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 37.6 m-85 -83.25 56.14 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.49 -53.36 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -87.85 -22.0 24.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.53 ' CG ' ' HA ' ' A' ' 14' ' ' PHE . 6.9 mmm -47.7 156.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.77 147.54 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.3 tt0 -47.7 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -45.93 -28.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 HG22 ' A' ' 125' ' ' VAL . 7.5 tp -64.31 -42.19 96.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 14' ' ' PHE . 3.2 mm? -55.93 -51.32 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.5 -42.37 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 117' ' ' LEU . 53.8 mt -57.97 -29.98 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 5.2 m -69.25 -53.89 17.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.67 -22.46 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.36 -33.65 58.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 17.7 mt -44.73 121.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -106.92 153.63 40.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.8 m -150.43 158.82 44.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -141.12 154.2 45.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 48.0 m-85 -113.15 110.93 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -79.78 -169.14 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.29 143.36 57.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt 65.52 38.15 5.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 m -103.56 120.08 40.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -97.47 113.63 25.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.23 -56.16 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.44 153.41 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 160.07 38.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.5 106.08 18.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.23 -35.35 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -83.22 153.62 66.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 t -119.59 107.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.32 -45.27 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -95.95 148.11 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -114.94 121.24 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.631 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -99.42 102.08 13.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -58.01 123.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.9 -51.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.79 124.48 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.723 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 151.11 -169.45 30.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -129.25 153.7 47.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.776 HD11 HG11 ' A' ' 112' ' ' VAL . 2.7 mp -155.61 171.89 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.0 pt-20 -123.56 133.89 53.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.9 t -110.23 135.03 51.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 73' ' ' ARG . 2.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -159.41 173.39 16.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tp -124.15 144.44 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 80' ' ' ASP . 35.3 mt -107.87 110.88 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -77.05 166.48 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.48 121.6 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.25 -37.94 2.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 76' ' ' LEU . 32.3 t70 -69.24 163.0 25.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -133.07 177.68 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 56.5 m -130.69 167.87 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.92 39.41 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -63.0 -25.41 68.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -48.95 -38.21 22.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.023 HD11 ' HB2' ' A' ' 119' ' ' ALA . 52.6 tp -50.34 -41.98 52.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 122' ' ' LEU . 0.8 OUTLIER -57.94 -50.28 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -37.85 88.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.878 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.9 t90 -48.64 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.416 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.69 -48.82 63.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -52.49 -23.54 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.55 106.31 55.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -28.05 9.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 163.03 36.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -119.8 127.13 52.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -77.14 122.63 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 t -87.01 44.29 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.6 152.21 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.9 m -117.96 137.59 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 49.7 t -134.19 152.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -144.36 156.43 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.91 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -83.34 -24.75 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.7 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.59 133.83 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.776 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -135.48 158.03 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.38 116.0 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.24 174.88 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -109.85 175.02 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 151.34 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.53 123.17 21.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.9 tt -85.74 144.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.023 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.69 -48.03 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 28' ' ' ARG . 3.8 mm-40 -48.65 -29.91 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -68.01 -69.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.673 ' CG ' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -41.08 -48.43 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -54.22 -69.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -53.41 -29.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.33 -38.25 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.641 HD11 ' CD2' ' A' ' 81' ' ' PHE . 4.4 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' HB3' HD21 ' A' ' 22' ' ' LEU . 20.1 m-85 -88.23 50.75 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.9 -53.36 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -97.08 15.1 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 25' ' ' ILE . 89.9 mtp -100.94 137.57 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.8 158.15 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.4 mt-10 -56.78 -47.49 80.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -49.88 -25.77 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 125' ' ' VAL . 6.4 tp -78.76 -34.76 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 14' ' ' PHE . 1.5 mm? -59.34 -52.5 65.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.05 -53.76 44.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.635 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -48.08 -52.06 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' CE ' ' A' ' 17' ' ' MET . 67.2 mt -67.66 -30.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' LEU . 42.7 t -67.48 -66.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -28.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -67.85 -42.22 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 117' ' ' LEU . 15.8 mt -39.45 118.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 152.16 39.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.3 m -141.74 163.13 33.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.11 149.35 38.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 12.3 m-85 -116.77 134.38 54.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -115.55 -168.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.91 141.52 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? 68.97 38.35 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -113.08 120.98 43.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 29.2 m-85 -99.28 119.29 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 9.5 mp -82.78 -59.08 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.38 157.2 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -126.91 160.91 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 118.25 32.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.94 -30.89 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 12.2 p-10 -87.66 157.3 52.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 171.8 17.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.07 112.99 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -84.28 -43.29 14.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -141.72 147.03 36.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.503 ' HG2' ' CE1' ' A' ' 52' ' ' PHE . 17.3 ttt -96.36 142.73 28.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 116' ' ' ALA . 1.3 mm? -110.13 136.67 48.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 8.5 m-85 -112.64 101.01 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.5 mm -53.34 124.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 14.6 mm -98.81 -49.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -171.25 137.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 137.81 -161.09 25.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.165 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -128.83 163.35 25.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 57' ' ' ARG . 2.6 mp -157.55 171.43 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.2 pt-20 -118.7 121.17 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.7 t -96.82 132.7 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 m -151.19 174.11 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 59' ' ' GLU . 3.2 tp -131.27 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -118.87 158.15 26.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -131.14 -172.14 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 2.8 mt-10 -66.12 120.43 13.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.2 4.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 140.49 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.641 ' CD2' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -117.42 167.01 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -124.24 165.8 16.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.16 32.43 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -62.37 -29.87 70.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 103' ' ' THR . 6.2 mp0 -51.75 -34.68 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.6 tp -59.27 -55.6 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.505 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.74 -48.87 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -70.13 -44.56 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.798 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -42.74 -66.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 107.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -48.71 -48.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.42 -26.74 61.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' THR . 15.3 t0 -88.37 117.17 68.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.17 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.0 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -121.35 140.62 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -63.57 163.45 11.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.475 HG23 ' OE1' ' A' ' 85' ' ' GLU . 8.2 p -94.96 -33.76 12.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 153.0 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 40.2 m -86.13 114.27 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 46.9 t -107.15 148.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 2.8 ttpt -139.03 161.0 38.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.21 120.08 41.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -102.75 -27.87 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 t -129.45 156.04 44.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -42.82 133.1 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.418 HG12 ' HA3' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -140.12 165.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.64 124.6 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.27 175.25 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.12 163.98 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -105.26 160.54 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.41 119.78 6.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 121' ' ' GLU . 9.5 tt -83.62 146.37 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.989 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -68.18 -51.88 40.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -39.89 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.5 mm-40 -47.83 -29.56 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.505 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.49 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.652 ' CD ' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -44.01 -45.28 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.49 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.635 HG21 ' HB1' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.44 -29.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 9.9 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -76.44 54.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -53.45 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -81.04 -21.6 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.804 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.2 153.22 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 m-20 -110.12 154.15 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.91 -52.95 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -31.37 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.5 tp -77.35 -33.1 55.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.94 -51.24 68.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 34.2 t0 -63.64 -57.84 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -40.97 -60.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 HD21 ' A' ' 117' ' ' LEU . 72.6 mt -56.79 -36.98 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -59.29 -55.6 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.84 -23.47 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.712 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -74.34 -41.67 60.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' CD2' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -42.69 119.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.92 149.91 36.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 94.17 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.6 161.11 30.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.09 148.83 39.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 37.6 m-85 -109.37 112.25 24.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -82.9 -168.59 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.46 140.2 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 67.46 36.43 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 m -103.89 117.21 33.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 37.1 m-85 -93.04 117.77 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.73 -56.16 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.1 m -133.35 154.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.44 145.14 46.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -82.63 118.55 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 -35.83 3.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.5 156.29 35.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.28 16.68 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -110.57 106.71 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.99 -45.39 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.25 152.48 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.544 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.0 ttt -99.08 144.27 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 mm? -111.89 127.61 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.698 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -108.66 103.09 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.99 125.33 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.58 -51.11 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.36 108.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.96 -155.68 24.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -143.05 157.29 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -157.59 171.79 19.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.803 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.7 pt-20 -124.22 136.91 54.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.09 126.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.631 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' A' ' 61' ' ' VAL . 1.3 mpt_? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -164.13 173.48 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.57 155.84 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.73 166.0 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -95.03 -172.64 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -84.78 115.52 22.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.48 6.17 21.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.28 134.6 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -115.66 147.47 40.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 78.8 m -117.65 175.07 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.35 36.95 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -24.57 67.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.75 -28.92 52.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.092 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.1 tp -57.68 -55.71 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 122' ' ' LEU . 5.3 tp -44.46 -48.1 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.046 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.1 t90 -43.39 -59.05 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -55.26 -54.75 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.623 HD21 ' CE ' ' A' ' 17' ' ' MET . 0.9 OUTLIER -51.9 -21.63 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -101.47 107.81 52.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.65 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.72 2.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -121.5 146.75 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.2 p -70.62 163.25 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 p -91.42 -41.82 10.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -156.42 163.62 39.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 m -86.1 106.45 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 24.7 t -105.47 144.31 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 7.3 ttpt -132.31 165.0 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.64 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -95.88 -27.43 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 t -135.1 158.83 43.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -44.19 118.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 58' ' ' LEU . 12.7 t -109.51 145.2 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.35 105.75 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.16 174.95 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -111.52 171.65 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.28 166.27 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.514 HD21 HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -151.03 123.85 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.712 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.8 tt -87.9 143.7 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.092 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.5 -49.24 69.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 16.9 mm-40 -48.71 -37.73 19.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -61.11 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ttpp -50.89 -46.41 60.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.529 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -62.24 -29.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -56.54 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' A' ' 81' ' ' PHE . 63.7 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -82.66 58.12 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -52.63 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -86.77 -17.02 34.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.585 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -50.58 154.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.493 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.2 t70 -110.22 156.32 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.95 -50.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -58.44 -29.39 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.0 tp -75.01 -32.59 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.4 mm? -65.49 -55.32 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -42.46 91.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -60.28 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.9 -32.4 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 21.7 m -68.13 -65.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.15 -28.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 6.3 mmt85 -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 117' ' ' LEU . 18.0 mt -37.29 130.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -107.1 151.79 40.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.1 m -150.06 157.54 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.21 150.16 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 27.8 m-85 -108.08 112.6 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -82.48 -168.52 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.73 141.92 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 67.47 34.55 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 14.9 m -95.98 119.59 34.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.26 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.32 -56.98 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.3 m -134.32 154.07 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 1.6 mtm180 -135.36 138.92 43.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 125.25 25.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.69 -33.79 6.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -89.48 148.23 39.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 172.85 15.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.0 t -109.13 120.64 60.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.34 -40.64 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -142.65 149.92 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.858 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.7 ttt -97.39 144.87 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -115.15 117.57 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.723 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 79.5 m-85 -93.91 106.0 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.0 mm -60.73 121.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mm -99.83 -46.92 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.06 106.71 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.17 -168.5 41.05 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -133.69 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -155.87 171.41 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.745 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.8 pt-20 -122.45 131.22 53.77 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 130.39 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.6 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 61' ' ' VAL . 5.9 mtp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -158.57 172.32 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.72 157.02 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -114.07 170.01 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -118.67 -173.86 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.57 127.42 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.75 33.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 174.75 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -155.98 142.91 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.4 m -107.85 158.91 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.18 50.68 3.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -69.91 -33.85 72.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.43 -26.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 119' ' ' ALA . 37.8 tp -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 122' ' ' LEU . 9.2 tp -52.16 -50.86 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.37 -41.08 81.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.032 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.2 t90 -45.37 -56.43 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -57.83 -51.68 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.7 mp -52.21 -34.23 44.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 8.0 m-20 -75.98 126.34 87.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.51 2.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.5 Cg_endo -74.95 -169.05 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.55 146.43 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.6 p -69.91 163.7 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -89.72 -42.51 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.65 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -161.15 168.99 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.6 m -87.69 104.94 17.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.96 144.85 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.86 144.23 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -82.99 114.66 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -97.27 -25.71 15.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.6 t -134.62 158.81 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -41.81 122.77 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 58' ' ' LEU . 3.4 t -117.74 149.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -134.25 109.08 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.48 175.11 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.435 ' HB2' HD22 ' A' ' 29' ' ' LEU . 59.0 m-85 -111.97 162.5 15.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -103.83 156.08 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -143.58 121.57 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -84.16 143.12 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.08 -48.78 74.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -66.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -54.44 -35.56 63.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 87' ' ' LEU . 1.6 tt -63.44 -67.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.613 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -38.96 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -46.0 -68.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.547 HG22 HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.27 -28.14 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.39 -60.03 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 ' CD2' ' A' ' 81' ' ' PHE . 24.6 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -84.13 55.94 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.57 -53.18 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.443 HD21 HD21 ' A' ' 91' ' ' LEU . 12.7 p30 -81.26 -32.17 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.0 mtm -51.5 142.15 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.1 m-20 -105.46 158.09 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.99 -55.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -47.43 -42.45 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 125' ' ' VAL . 12.9 tp -67.43 -35.21 78.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD22 ' HE3' ' A' ' 17' ' ' MET . 4.6 mm? -65.08 -60.39 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -49.95 -46.81 52.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.04 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 65.1 mt -52.42 -26.17 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 20.2 m -76.33 -60.52 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.0 -25.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -73.7 -35.36 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 18.8 mt -38.95 126.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 152.37 39.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.24 2.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.6 m -150.64 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.35 154.96 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 16.3 m-85 -107.97 111.06 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.58 -170.76 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.89 137.86 58.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt 69.58 25.93 5.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.1 m -91.98 114.32 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 32.4 m-85 -90.84 113.39 25.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.14 -51.14 11.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' ARG . 24.3 m -141.31 154.66 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -131.13 140.24 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -78.51 110.27 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.62 -34.53 3.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 28.7 p-10 -87.42 158.15 52.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.02 23.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.533 ' O ' HD22 ' A' ' 99' ' ' LEU . 40.1 t -108.61 117.2 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -89.49 -42.71 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 151.32 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.733 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.5 ttt -97.54 142.65 29.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.595 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -112.66 119.01 36.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 80.1 m-85 -94.79 102.83 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 53' ' ' ILE . 10.4 mm -59.78 118.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 20.7 mm -98.27 -48.54 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.98 144.95 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.33 -155.6 21.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.91 157.99 44.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.1 mp -155.79 169.41 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.6 pt-20 -112.51 112.96 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.1 p -98.1 128.41 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' ARG . 3.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -154.2 172.99 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -129.01 145.24 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 75' ' ' LEU . 21.8 mt -101.66 158.51 16.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -120.37 179.82 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 125.46 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.08 -28.03 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.25 138.99 44.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.542 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -118.13 153.77 33.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.57 163.75 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.17 48.96 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -66.32 -39.03 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' ASP . 14.7 mm-40 -38.27 -33.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 24.7 tp -55.48 -57.42 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.935 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.04 -51.93 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.993 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.8 t90 -45.71 -62.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -49.91 -38.83 37.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -66.93 -29.77 69.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -92.51 114.42 62.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 47' ' ' VAL . 20.2 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -172.78 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.5 p -121.35 138.24 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 42' ' ' ARG . 24.6 p -58.36 163.19 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 p -88.91 -38.5 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -155.03 173.04 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -93.94 102.52 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 43.0 t -102.85 138.92 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.5 ttpt -135.25 145.56 47.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -90.41 128.08 36.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -112.0 -27.38 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -128.28 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -47.41 115.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 110' ' ' THR . 18.8 t -108.1 154.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.32 107.99 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.51 174.73 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.5 166.29 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.57 168.39 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.97 119.94 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -84.46 143.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.007 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -62.67 -50.28 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.7 mm-40 -51.56 -36.29 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.935 HD11 HD12 ' A' ' 87' ' ' LEU . 1.1 tt -61.72 -65.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.577 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.2 ttpp -48.12 -45.16 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -52.35 -62.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 21' ' ' LEU . 1.3 p -58.86 -29.09 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -67.91 -31.12 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 30.6 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.81 56.19 1.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.96 -52.12 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -88.75 -27.73 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.585 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.5 ttm -53.37 135.58 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -44.25 -53.94 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.9 mmm-85 -47.52 -36.65 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 HG13 ' A' ' 125' ' ' VAL . 12.1 tp -75.54 -31.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 17' ' ' MET . 3.9 mm? -64.45 -51.41 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -60.3 -55.76 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.57 -43.0 45.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -44.71 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.622 ' SG ' HD12 ' A' ' 29' ' ' LEU . 5.4 t -57.21 -50.48 72.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -25.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.796 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -76.93 -44.49 31.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' SG ' ' A' ' 26' ' ' CYS . 38.7 mt -38.65 104.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 158.46 43.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.373 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 109.31 2.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.1 m -147.43 153.32 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 151.18 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 49.6 m-85 -113.69 139.62 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -116.38 -173.18 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 137.74 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 69.89 40.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.2 m -113.93 126.87 55.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 20.0 m-85 -102.45 120.2 40.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 8.8 mp -85.78 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.14 153.99 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 125.5 42.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.01 128.5 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.67 -39.44 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -80.17 159.34 70.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 165.52 31.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.98 125.29 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -91.43 -38.75 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.05 149.52 38.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 1.003 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -95.9 143.07 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -111.2 127.32 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 32.0 m-85 -104.7 101.88 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -56.03 117.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mm -93.52 -55.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.64 128.84 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.31 -173.97 23.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 161.4 23.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 112' ' ' VAL . 2.7 mp -153.66 171.65 18.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.774 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.8 pt-20 -117.32 119.4 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 t -98.55 130.63 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -146.05 172.59 13.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 14.6 tp -129.51 157.68 41.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 4.6 mt -133.12 159.07 41.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -133.64 -179.69 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.85 124.76 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.18 -41.61 1.81 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.14 146.33 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -119.55 176.95 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.1 m -131.36 160.14 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.92 27.59 1.04 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -50.65 -36.94 37.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -45.28 -26.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 119' ' ' ALA . 49.2 tp -66.0 -43.64 87.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 122' ' ' LEU . 3.0 tp -54.94 -52.71 62.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.74 -38.35 86.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.18 . . . . 0.0 110.418 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.147 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.6 t90 -46.06 -64.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 107.955 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 123' ' ' LYS . . . -51.36 -53.77 33.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -27.06 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 14.0 t70 -87.55 117.72 68.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.04 5.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.05 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -121.73 155.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 t -82.23 163.76 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -87.15 -38.07 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 159.82 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.7 m -83.75 104.9 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.52 145.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 4.7 ttpt -135.12 164.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -107.47 117.81 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -103.08 -26.09 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -134.02 156.61 47.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -41.78 114.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -115.5 151.9 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.23 118.39 20.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.249 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.69 175.1 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.71 173.85 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.32 161.03 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.578 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -154.16 119.41 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 28' ' ' ARG . 8.9 tt -82.76 144.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.147 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -68.68 -49.75 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -39.79 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.1 mm-40 -41.87 -46.74 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -52.3 -59.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -49.93 -53.48 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -51.82 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -55.92 -31.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' LEU . . . -68.26 -49.17 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 81' ' ' PHE . 27.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' CE2' ' A' ' 52' ' ' PHE . 70.9 m-85 -79.55 55.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -52.95 6.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -72.35 -31.86 65.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.554 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -44.69 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 22' ' ' LEU . 37.9 t70 -109.77 157.18 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.49 -59.17 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -51.63 -33.67 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 125' ' ' VAL . 6.7 tp -72.11 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.6 mm? -64.7 -61.72 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -52.01 -44.39 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -54.83 -52.4 62.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.37 -21.89 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' HD12 ' A' ' 29' ' ' LEU . 51.1 t -74.14 -53.94 8.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 1.8 pt-20 -54.69 -25.93 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -70.7 -33.76 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' SG ' ' A' ' 26' ' ' CYS . 18.7 mt -40.3 116.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -94.11 140.15 22.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.03 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 m -151.15 168.35 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.68 165.52 27.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.232 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 31.0 m-85 -127.26 112.44 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -81.4 -168.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.43 143.26 50.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 66.78 37.66 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 16.8 m -106.29 114.96 29.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.7 m-85 -91.7 107.28 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.76 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.25 157.58 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 4.0 mtp180 -134.63 171.21 14.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -99.98 108.06 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.28 -19.16 8.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 19.7 p-10 -99.55 152.38 37.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.91 170.63 19.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' PRO . 15.2 t -112.47 109.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.79 -44.97 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.7 151.14 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB2' HD23 ' A' ' 86' ' ' LEU . 6.4 ttt -98.54 145.68 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -113.19 124.73 53.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 81.6 m-85 -105.48 101.3 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.18 123.37 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.8 mm -100.92 -47.79 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.21 103.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.21 -166.6 38.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.41 157.96 43.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -159.39 171.21 20.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.849 ' CD ' HD21 ' A' ' 109' ' ' LEU . 9.3 pt-20 -124.63 120.95 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.3 t -96.31 128.97 43.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 3.3 t -157.85 173.76 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' OG ' ' A' ' 74' ' ' SER . 6.0 tp -125.2 149.39 48.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.4 mt -112.63 114.65 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -174.67 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.75 120.62 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.41 -26.07 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.85 157.47 35.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.32 176.65 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.44 164.49 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.85 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -12.06 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.46 -33.95 70.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.6 tp -54.67 -57.18 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 122' ' ' LEU . 1.7 tp -42.34 -51.58 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.17 -42.78 88.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.903 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t90 -49.28 -56.62 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.021 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.87 -58.63 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -53.83 -23.65 13.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -73.58 115.43 41.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.89 5.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.8 p -120.77 133.94 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.657 HG23 ' NE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -108.42 -13.5 14.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.657 ' NE ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -156.51 160.97 40.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m -99.84 113.29 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.7 t -107.57 152.14 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -147.08 150.1 34.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.01 111.92 23.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.849 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.49 -27.62 15.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 1.2 t -133.17 164.0 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.51 119.83 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 58' ' ' LEU . 2.5 t -112.28 154.25 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -141.01 106.46 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.34 175.17 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.31 166.39 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.87 160.86 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -146.07 122.47 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.3 tt -84.85 143.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -66.09 -49.86 66.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.15 -66.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.513 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -51.96 -38.15 55.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.965 HD11 HD12 ' A' ' 87' ' ' LEU . 1.2 tt -61.28 -69.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -45.18 -48.08 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -51.1 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.675 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -57.43 -35.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 81' ' ' PHE . 35.3 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -77.95 56.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -49.36 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -82.98 -32.67 26.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.892 ' HG2' HD23 ' A' ' 21' ' ' LEU . 2.6 mtm -51.61 145.75 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.13 158.03 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -45.31 -57.71 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.9 -34.23 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.892 HD23 ' HG2' ' A' ' 17' ' ' MET . 9.4 tp -76.5 -30.96 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.9 mm? -65.24 -57.12 9.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.78 -50.38 70.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -50.5 -52.18 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.683 HG13 HG11 ' A' ' 125' ' ' VAL . 25.9 mt -64.72 -42.75 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 6.8 t -53.06 -51.39 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -25.64 15.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -72.75 -39.98 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 117' ' ' LEU . 16.3 mt -43.49 114.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.65 154.69 37.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.45 163.48 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.65 165.18 28.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.576 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 34.8 m-85 -119.69 111.05 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -87.34 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 141.92 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 71.62 14.13 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -90.73 113.62 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 21.9 m-85 -94.7 124.93 39.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.0 -55.42 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' ARG . 17.9 m -134.34 150.57 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.48 165.15 22.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 123.67 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.58 -36.42 4.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -87.8 152.41 51.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.57 118.1 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -88.94 -41.33 12.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.77 153.86 46.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.862 ' HB2' HD23 ' A' ' 86' ' ' LEU . 16.1 ttt -106.02 140.45 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.3 mm? -110.74 130.58 55.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 8.1 m-85 -106.82 101.18 10.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.36 121.41 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 12.2 mm -97.85 -43.92 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -173.62 104.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.44 -159.24 24.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -142.49 157.06 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -160.12 171.87 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.961 ' CD ' HD21 ' A' ' 109' ' ' LEU . 12.7 pt-20 -125.09 129.67 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -98.75 136.77 38.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -157.12 173.61 16.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tp -130.37 154.19 47.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD22 ' OD2' ' A' ' 80' ' ' ASP . 4.4 mt -121.54 166.71 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.98 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 123.63 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.34 -41.71 1.64 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -68.99 143.17 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.65 165.08 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.58 159.95 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.02 47.99 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -32.78 73.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -38.12 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.119 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.0 tp -53.85 -48.34 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 122' ' ' LEU . 7.1 tp -50.14 -46.5 53.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -72.51 -38.51 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.05 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.1 t90 -48.11 -58.35 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.651 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -60.14 -44.65 94.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -61.89 -14.56 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -106.61 109.81 63.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.57 7.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 176.09 10.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.28 143.72 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 163.64 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -92.78 -33.19 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -152.8 164.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.7 m -93.15 112.09 23.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 58' ' ' LEU . 28.1 t -111.49 143.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.697 ' O ' HD23 ' A' ' 58' ' ' LEU . 4.7 ttpt -132.0 164.21 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.07 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.961 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -99.25 -23.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -135.59 155.09 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.98 121.52 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 58' ' ' LEU . 3.1 t -114.3 152.33 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 33' ' ' LEU . 24.0 mt-10 -132.53 106.38 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.576 ' HB3' ' HE2' ' A' ' 34' ' ' PHE . . . -160.36 174.89 13.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.56 173.88 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -108.77 168.38 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.4 121.03 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.2 tt -85.76 143.11 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.119 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -63.4 -48.62 77.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.9 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.469 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -48.11 -33.99 9.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 87' ' ' LEU . 1.3 tt -65.69 -69.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.3 ttpp -44.47 -43.99 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.47 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.834 ' O ' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -60.55 -25.8 35.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -74.04 -38.6 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.845 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.1 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -76.35 57.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -43.81 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.37 -27.82 38.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.29 157.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.2 m-20 -107.58 156.99 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.02 -56.64 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -51.29 -33.08 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 125' ' ' VAL . 7.9 tp -77.47 -31.15 53.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -65.64 -57.32 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.59 -49.49 74.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.25 -64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' O ' HD21 ' A' ' 117' ' ' LEU . 64.8 mt -53.16 -33.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.2 m -64.92 -60.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -32.92 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.65 -40.02 93.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 117' ' ' LEU . 16.9 mt -40.66 121.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.36 148.8 35.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.56 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -155.64 164.47 38.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.01 152.95 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.8 m-85 -102.63 119.34 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -95.23 -169.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.09 141.01 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? 69.07 30.22 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -105.47 114.17 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 14.5 m-85 -93.61 120.73 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -78.52 -51.36 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 12.0 m -142.2 149.38 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 105' ' ' THR . 17.3 mtm180 -130.16 160.19 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 105.23 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.34 -29.88 5.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.77 156.75 61.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.366 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.42 HG12 HD22 ' A' ' 86' ' ' LEU . 38.3 t -117.88 103.1 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.84 -47.04 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.35 153.98 43.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -96.54 149.23 22.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.2 mm? -118.9 118.2 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.735 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 62.2 m-85 -95.12 108.12 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 53' ' ' ILE . 12.8 mm -63.36 120.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.1 mm -100.58 -48.44 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.68 131.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.01 -148.26 18.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.36 145.36 29.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.9 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -147.74 170.48 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.916 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.5 pt-20 -121.87 119.13 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 104' ' ' ARG . 96.7 p -98.63 136.63 38.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -144.97 173.17 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.16 157.28 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -124.47 170.82 10.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -127.42 -171.93 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.36 121.73 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.53 -25.52 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.43 139.56 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.845 ' CE2' HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -115.82 170.23 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.4 ' HB2' HG21 ' A' ' 41' ' ' VAL . 1.4 p -120.42 156.6 31.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 108.277 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.31 53.58 2.74 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.9 p-10 -67.39 -19.78 65.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.68 -38.51 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.3 tp -50.19 -46.57 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.82 HD13 ' CE ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -51.62 -50.06 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.07 -40.87 82.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.039 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.0 t90 -45.75 -56.95 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.77 -50.16 71.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -56.83 -25.92 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -90.59 114.04 59.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 169.08 23.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.37 134.98 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -75.21 154.9 37.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.07 -11.28 14.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.568 ' HG2' HG23 ' A' ' 106' ' ' VAL . 3.7 ttm180 -116.91 147.07 42.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 22.3 m -115.33 103.95 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 104' ' ' ARG . 38.3 t -105.83 155.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -141.61 161.66 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.37 114.85 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.95 -23.86 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.4 t -136.38 165.86 24.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -54.14 114.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.9 HG11 HD11 ' A' ' 58' ' ' LEU . 13.7 t -107.0 144.19 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.86 108.38 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.7 174.91 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.95 163.88 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -105.41 165.07 11.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.87 119.39 6.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -81.6 143.81 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.64 -49.4 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.52 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -47.16 -31.43 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 90' ' ' ALA . 1.5 tt -69.08 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.2 ttpp -44.31 -47.59 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -49.92 -64.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.14 -27.8 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.31 -58.14 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.937 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 81' ' ' PHE . 90.9 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -81.83 53.16 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -53.0 6.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -86.12 -17.11 35.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.839 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -52.96 153.13 3.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -109.94 151.51 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.83 -50.02 5.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -55.21 -36.49 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.3 tp -70.92 -35.27 72.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.46 -58.37 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -54.46 -53.81 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.77 -68.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.4 mt -48.85 -30.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.14 -59.17 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -45.76 -30.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 9.5 mmp_? -66.22 -41.49 90.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.9 mt -39.53 111.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 151.47 37.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.24 2.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.9 m -145.62 163.93 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.87 164.56 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 39.2 m-85 -124.9 110.06 13.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -76.86 -168.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -71.22 146.99 48.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 62.21 33.91 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -106.05 113.8 27.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.19 119.41 31.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp -78.41 -58.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.58 146.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.96 176.8 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 108.27 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -22.12 10.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -91.07 152.43 44.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.06 165.74 30.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.38 105.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -78.78 -44.76 22.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.64 150.7 45.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.746 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.1 ttt -95.61 138.55 33.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mm? -106.72 131.48 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -113.33 101.44 9.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.593 HD11 HD13 ' A' ' 58' ' ' LEU . 17.6 mm -53.98 120.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -99.31 -50.14 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.04 99.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.74 -154.55 12.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -146.32 159.6 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.705 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -160.55 170.06 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.882 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -118.12 116.58 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 5.1 p -105.89 145.64 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.4 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 6.6 mpt_? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 t -144.14 174.05 11.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -134.44 147.14 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.38 122.3 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -96.1 -172.17 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -66.55 126.84 30.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.43 -34.3 4.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.2 156.06 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -138.06 166.95 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 42.08 44.33 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -69.68 -32.97 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -46.16 -32.93 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.025 HD11 ' HB2' ' A' ' 119' ' ' ALA . 31.0 tp -56.46 -50.64 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 122' ' ' LEU . 1.8 tp -48.5 -48.47 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -39.06 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.081 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -52.26 -52.48 52.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -63.33 -48.44 77.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.47 -37.77 57.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.64 71.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.1 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 169.25 23.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -120.6 127.78 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 p -76.9 130.23 37.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 103' ' ' THR . 1.1 t -93.22 51.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 151.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' SER . 43.7 m -116.22 132.15 56.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.445 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.4 t -131.6 151.37 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -143.29 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.66 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -102.83 -22.31 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' GLU . 6.9 t -135.56 152.18 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' THR . 5.7 tt0 -38.31 116.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 58' ' ' LEU . 5.1 t -105.02 154.56 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.0 107.16 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.2 174.91 13.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -108.21 169.98 8.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 168.55 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -156.83 119.95 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.0 tt -83.9 143.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.081 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -51.28 62.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.7 mm-40 -48.35 -40.48 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -58.3 -61.76 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 1.7 ttpp -50.31 -48.32 55.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -51.66 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.699 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.06 -29.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -70.74 -52.99 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 81' ' ' PHE . 65.1 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CE1' HD11 ' A' ' 87' ' ' LEU . 29.4 m-85 -83.01 53.23 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 -52.61 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -78.51 -16.8 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.795 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.35 146.79 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.51 157.54 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -45.53 -54.56 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -54.17 -30.5 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' MET . 3.3 tp -74.03 -35.82 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.19 -47.95 83.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.38 -53.22 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.14 -58.83 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.64 -28.48 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.21 -62.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.44 -25.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -70.52 -35.35 73.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 18.6 mt -40.69 115.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 153.07 37.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.16 155.75 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.38 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 17.1 m-85 -119.17 123.54 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.7 -175.69 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.82 135.28 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt 71.04 35.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.685 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 12.6 m -99.51 114.45 27.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 107' ' ' LYS . 13.2 m-85 -98.13 109.74 22.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 3.7 mp -75.58 -46.68 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 104' ' ' ARG . 4.1 m -136.96 142.99 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.83 139.61 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.64 120.83 20.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.77 -41.25 1.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 45' ' ' ASP . 24.9 p30 -92.4 150.7 40.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.23 25.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.66 119.31 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -89.31 -41.77 11.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.28 156.79 44.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.502 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.41 143.73 31.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 116' ' ' ALA . 2.0 mm? -113.58 119.13 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 41.9 m-85 -97.15 114.9 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 127.2 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.2 mm -105.72 -50.52 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.58 110.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.605 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.6 -159.53 32.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.45 160.91 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.751 HD11 HG11 ' A' ' 112' ' ' VAL . 2.4 mp -157.92 171.6 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.7 pt-20 -120.5 118.34 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -95.28 136.51 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CG ' ' A' ' 73' ' ' ARG . 2.5 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 61' ' ' VAL . 4.5 mtm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.6 m -154.89 171.56 19.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.3 tp -125.87 155.4 41.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.83 164.92 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -100.93 -176.97 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.87 123.97 27.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 13.14 45.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.69 171.24 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -147.08 154.09 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.584 ' SG ' HG21 ' A' ' 106' ' ' VAL . 97.8 m -123.36 166.97 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' CYS . . . 37.38 51.05 1.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -12.98 56.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -59.22 -15.51 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.2 tp -70.61 -53.88 14.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -47.69 -63.02 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -53.2 -47.57 68.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.817 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 33.7 t90 -45.37 -52.8 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.028 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.497 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.79 -55.45 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.93 -32.66 33.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.9 OUTLIER -79.07 114.34 43.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -25.44 11.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -117.46 125.92 51.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -60.71 151.48 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -115.12 13.57 16.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.53 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.71 152.41 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.8 m -110.42 149.79 29.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.584 HG21 ' SG ' ' A' ' 82' ' ' CYS . 55.7 t -142.74 160.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 2.7 ttpt -151.86 147.47 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.12 116.39 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -96.28 -19.99 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -141.61 173.37 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 110' ' ' THR . 0.9 OUTLIER -60.49 119.42 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.751 HG11 HD11 ' A' ' 58' ' ' LEU . 2.4 t -122.27 128.14 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.16 115.71 30.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.8 174.84 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 72.3 m-85 -109.74 167.35 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.48 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -116.1 152.54 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -132.21 119.87 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.435 ' CG2' ' HG3' ' A' ' 121' ' ' GLU . 7.3 tt -82.76 142.84 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.855 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -58.69 -52.94 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -68.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 118' ' ' ILE . 3.7 mm-40 -51.8 -38.1 54.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -62.03 -69.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.4 ttpp -47.61 -43.13 25.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.85 -64.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -59.13 -36.64 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.49 -65.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.036 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.1 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -79.76 60.36 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.56 -53.82 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -86.28 -29.76 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.768 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.6 ttm -51.56 143.92 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -106.58 154.97 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.1 mt-10 -44.01 -60.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -46.51 -33.89 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.768 HD23 ' CG ' ' A' ' 17' ' ' MET . 13.4 tp -75.8 -33.64 60.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.1 mm? -64.25 -54.28 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -54.26 -53.29 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.39 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 62.6 mt -59.97 -34.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 48.4 m -68.66 -50.64 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.237 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -21.97 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -79.48 -36.03 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 117' ' ' LEU . 19.7 mt -39.81 127.31 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.3 152.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.46 161.41 41.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 108.259 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 1.5 tp -143.01 152.54 42.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 28.3 m-85 -107.01 114.61 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -89.5 -171.06 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.46 139.43 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 68.43 39.19 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.8 m -110.2 118.34 36.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.91 116.09 28.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.74 -56.41 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG11 ' CA ' ' A' ' 83' ' ' GLY . 29.8 m -135.86 159.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -135.72 129.83 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.53 123.56 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.53 -36.66 3.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -73.51 158.74 86.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 165.06 32.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 86' ' ' LEU . 47.8 t -119.4 112.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.82 -44.9 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.3 150.58 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -96.31 150.17 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.8 mm? -117.9 124.34 48.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 13.9 m-85 -101.87 102.04 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.87 117.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -95.37 -48.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -165.6 128.7 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.18 -153.02 24.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.13 154.78 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.1 mp -152.81 171.03 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.6 pt-20 -122.7 128.04 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -101.18 137.07 40.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -155.41 171.39 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 58' ' ' LEU . 12.7 tp -131.18 156.98 44.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 9.9 mt -123.18 164.38 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -136.35 -179.04 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.25 121.07 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.53 -40.58 1.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.63 145.49 53.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -118.2 175.07 5.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 111.031 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 91.7 m -131.2 169.68 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.472 ' CA ' HG11 ' A' ' 41' ' ' VAL . . . 38.74 31.73 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.483 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.14 -40.59 85.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.02 -27.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.971 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.6 tp -64.79 -44.52 89.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -51.46 -55.6 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -59.96 -46.79 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.008 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 31.7 t90 -41.56 -59.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 107.995 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.25 -56.69 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.1 mm? -52.0 -27.66 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -88.42 113.59 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.2 4.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -121.55 145.56 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -73.06 159.2 33.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.86 -17.68 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.31 158.68 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 m -101.52 106.21 17.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.87 145.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 156.83 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.95 117.01 33.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -101.13 -26.52 13.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -136.26 161.73 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.94 111.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 110' ' ' THR . 24.7 t -102.43 141.1 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.07 107.2 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.59 175.29 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -113.74 171.52 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.48 160.14 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.94 119.75 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.7 tt -82.36 145.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.008 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -52.39 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -39.7 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.4 mm-40 -46.96 -37.09 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.6 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 4.4 ttpp -48.67 -42.15 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.14 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.689 HG13 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.45 -28.24 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -68.08 -57.34 6.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.963 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.823 ' HB3' HD23 ' A' ' 87' ' ' LEU . 21.5 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -80.61 57.22 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.07 -53.15 5.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -105.67 14.91 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.639 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -60.88 141.38 57.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . 38.1 t70 -109.72 141.95 41.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.93 -61.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -34.48 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 125' ' ' VAL . 8.3 tp -73.0 -37.6 66.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -56.94 -55.91 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.56 -50.17 74.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.34 -60.81 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 77.1 mt -56.52 -30.33 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -68.49 -48.03 65.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -19.16 49.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.75 -36.02 57.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 117' ' ' LEU . 13.8 mt -47.32 127.6 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.56 156.39 42.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.1 m -150.23 159.74 44.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -142.45 155.34 45.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 52.1 m-85 -108.91 110.33 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -84.43 -171.08 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt 69.95 39.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 15.7 m -111.43 114.34 27.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.6 m-85 -99.26 105.38 17.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -54.45 -65.68 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.32 139.83 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.25 133.28 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.76 123.27 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.98 -34.45 4.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -95.71 157.11 36.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.34 110.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.82 -44.26 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.99 152.32 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.893 ' HB2' HD23 ' A' ' 86' ' ' LEU . 7.1 ttt -96.8 148.66 22.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.588 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -115.13 127.97 55.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 33.1 m-85 -110.25 103.44 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 mm -59.16 122.48 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -100.74 -49.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.36 126.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.586 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 152.04 -160.24 28.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.39 156.67 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 112' ' ' VAL . 2.1 mp -159.38 171.48 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.856 ' CD ' HD21 ' A' ' 109' ' ' LEU . 8.6 pt-20 -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 76' ' ' LEU . 45.2 t -100.73 136.53 40.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m -143.7 172.29 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tp -123.68 152.31 42.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 60' ' ' SER . 14.3 mt -117.6 162.77 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -131.78 -177.11 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.9 120.63 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.44 -33.89 3.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 137.49 51.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 p90 -119.1 155.25 31.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.0 m -113.95 172.25 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.41 34.71 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.8 64.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -57.05 -20.63 25.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.996 HD11 ' HB2' ' A' ' 119' ' ' ALA . 43.8 tp -74.79 -41.35 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.823 HD23 ' HB3' ' A' ' 13' ' ' LEU . 8.4 tp -56.62 -50.48 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -37.77 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.747 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 27.8 t90 -42.03 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 107.947 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 123' ' ' LYS . . . -47.61 -49.53 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -52.23 -37.74 56.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.92 114.7 46.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.84 2.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.571 ' HG3' ' CD1' ' A' ' 89' ' ' TRP . 18.4 Cg_endo -74.97 -179.73 5.27 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -120.43 123.19 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -79.92 127.63 32.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 103' ' ' THR . 0.8 OUTLIER -90.59 21.18 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 158.55 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.7 m -144.31 98.55 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 107' ' ' LYS . 99.0 t -119.84 164.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -155.46 150.29 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.48 110.57 21.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.856 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -97.06 -23.55 16.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -139.09 155.54 47.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.92 129.77 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.83 164.24 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.85 115.32 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.38 174.41 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.96 173.46 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.09 153.92 29.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -137.63 119.59 15.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.9 tt -83.98 143.8 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.996 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -67.06 -47.17 72.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -70.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.2 mm-40 -47.87 -28.67 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -65.57 -68.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -40.44 -47.5 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -50.13 -58.77 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.871 HG22 HD12 ' A' ' 21' ' ' LEU . 1.4 p -68.35 -28.61 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -49.89 -36.53 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 81' ' ' PHE . 22.7 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 57.8 m-85 -80.28 60.09 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.97 -50.92 8.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -77.03 -36.03 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.57 ' SD ' HD23 ' A' ' 21' ' ' LEU . 1.8 mmt -37.44 149.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' LEU . 29.5 t0 -109.74 154.29 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.03 -58.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -51.15 -35.62 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.658 HD11 HG13 ' A' ' 125' ' ' VAL . 13.8 tp -70.57 -37.28 73.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.68 -51.3 70.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.38 -47.87 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.19 -52.04 29.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 28.0 mt -67.45 -24.28 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 29' ' ' LEU . 9.4 t -72.94 -57.54 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 3.2 pt-20 -52.04 -27.24 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.04 -33.48 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.283 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 115' ' ' PHE . 18.3 mt -41.09 120.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -104.77 153.36 39.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 31' ' ' PRO . 13.2 m -150.8 154.01 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.3 154.22 44.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.0 m-85 -112.18 132.5 54.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -105.6 -168.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt 71.01 35.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 66.6 m -104.44 115.23 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 2.9 m-85 -99.35 106.91 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.8 m -133.57 151.78 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -132.27 171.43 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 103.33 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.19 -35.78 3.39 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.566 1.166 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -77.46 148.82 77.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.02 173.0 15.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 100' ' ' PRO . 16.7 t -117.74 115.5 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.21 -41.01 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.15 152.09 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.718 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.9 ttt -96.87 147.51 23.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.3 mm? -118.15 117.9 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 77.5 m-85 -96.11 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 53' ' ' ILE . 5.0 mm -56.2 117.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -97.37 -52.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.47 96.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.18 -159.62 17.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.84 156.67 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 57' ' ' ARG . 3.2 mp -162.54 171.71 16.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.951 ' CD ' HD21 ' A' ' 109' ' ' LEU . 10.7 pt-20 -128.87 126.9 40.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -101.43 138.34 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.4 m -155.24 171.59 19.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.75 154.4 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.58 159.05 24.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -130.72 -168.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -69.73 121.65 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.34 -30.38 4.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.93 140.54 40.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -119.2 153.06 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.21 161.41 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 50' ' ' MET . . . 37.54 59.95 1.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -32.93 57.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -42.95 -28.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 119' ' ' ALA . 23.7 tp -59.31 -52.78 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -45.65 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -57.96 -46.65 84.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 1.096 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 47.6 t90 -44.96 -59.18 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -58.05 -41.85 84.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -10.45 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -113.3 107.71 53.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.55 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.99 160.58 40.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 p -117.34 127.25 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 144.03 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 p -101.09 23.31 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 151.28 14.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 106' ' ' VAL . 17.9 m -106.67 155.86 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 105' ' ' THR . 40.8 t -157.27 145.8 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -139.57 150.47 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -88.61 114.57 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.951 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.86 -24.68 14.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.9 t -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.46 117.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.61 HG11 HD11 ' A' ' 58' ' ' LEU . 7.4 t -109.33 145.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.24 107.67 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.44 175.03 13.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 29' ' ' LEU . 81.7 m-85 -107.98 170.15 8.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -114.55 153.08 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -138.62 119.68 14.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -83.69 141.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 1.096 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -61.92 -45.97 91.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 118' ' ' ILE . 4.8 mm-40 -49.97 -38.62 37.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -61.47 -69.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.2 ttpp -45.39 -47.19 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.97 -60.93 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.658 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -65.23 -25.96 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -68.93 -45.15 71.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -150.06 -58.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t 67.27 97.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 -94.13 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.58 121.06 40.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.48 147.91 30.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -61.15 -127.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 8' ' ' VAL . 1.6 m 33.69 43.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -64.08 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 44.29 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 2.0 t -78.87 139.78 57.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.04 -33.17 4.74 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' CD1' ' A' ' 81' ' ' PHE . 7.4 mt -41.66 -60.42 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 13.6 m-85 -81.04 57.86 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -93.18 -47.67 6.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -83.55 -32.79 25.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.794 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -51.51 152.67 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.92 158.2 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.7 mt-10 -48.11 -54.94 11.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -49.66 -35.12 20.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD11 HG13 ' A' ' 125' ' ' VAL . 13.4 tp -74.38 -29.8 61.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.3 mm? -68.9 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -48.8 -49.98 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -53.24 -52.65 58.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.13 -36.49 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 30.2 m -64.73 -49.02 72.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.95 -21.62 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -32.92 51.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.0 mt -41.71 127.93 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -112.54 152.81 44.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.5 p -155.57 155.63 33.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.49 153.65 45.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 25.2 m-85 -104.97 139.16 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -116.55 -171.48 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.41 136.15 57.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 70.68 35.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -105.71 115.09 29.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.58 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 11.7 m-85 -91.72 120.2 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 40' ' ' LEU . 8.3 mp -85.46 -57.68 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 82' ' ' CYS . 13.3 m -130.2 150.19 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' NE ' ' HB3' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -129.78 128.7 42.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -70.64 125.61 27.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.18 -30.73 9.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -87.89 158.85 49.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.2 t -116.63 120.89 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.05 -42.59 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.79 154.01 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 86' ' ' LEU . 3.9 ttt -99.9 150.06 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.551 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -119.21 119.54 34.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 83.4 m-85 -97.15 104.75 16.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 53' ' ' ILE . 15.7 mm -58.27 118.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -96.91 -48.85 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.63 109.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.2 -156.43 24.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -139.43 160.57 39.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 0.789 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.691 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -160.83 171.26 19.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.914 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.2 pt-20 -127.61 131.11 49.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.54 130.91 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 2.5 t -136.24 144.66 32.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 t -122.12 161.51 22.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.609 HG22 ' CE2' ' A' ' 71' ' ' TYR . 69.7 p -122.56 -51.02 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -73.67 139.19 45.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.22 -127.7 8.96 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.5 -175.4 32.99 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -168.47 138.08 2.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 0.768 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m 53.34 93.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.28 -135.92 12.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -151.19 153.29 34.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CE2' HG22 ' A' ' 63' ' ' THR . 43.4 m-85 48.25 98.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -80.87 107.11 13.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HG2' ' CG2' ' A' ' 61' ' ' VAL . 1.0 OUTLIER -84.12 145.0 28.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -157.84 171.9 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 tp -123.56 153.88 40.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.1 mt -107.79 149.06 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.4 ptmt -83.7 -172.13 3.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 8.4 tp10 -79.39 136.39 36.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.61 9.28 75.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.68 130.17 39.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 p90 -112.01 144.55 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.494 ' HB3' HG21 ' A' ' 41' ' ' VAL . 74.4 m -113.27 168.2 9.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.22 33.33 0.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -23.77 45.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.69 -30.57 22.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 119' ' ' ALA . 25.8 tp -58.96 -47.74 84.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD12 HD11 ' A' ' 122' ' ' LEU . 6.4 tp -47.56 -51.35 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.72 -42.82 85.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.384 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.052 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 57.4 t90 -46.51 -58.33 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.37 -40.35 77.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 -14.21 62.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -118.69 97.03 50.58 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -54.2 -36.52 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.51 91.98 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.75 48.69 0.92 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.0 65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.98 169.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -52.85 157.64 2.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 -177.13 3.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -121.19 158.88 27.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.4 t -85.38 163.14 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.0 p -88.34 -29.17 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 174.5 15.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 99.3 m -102.71 113.66 27.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.09 149.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 9.1 ttpt -137.39 171.68 14.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -111.08 111.91 23.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.914 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -95.03 -25.1 16.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -135.22 165.01 26.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.61 113.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.691 HG11 HD11 ' A' ' 58' ' ' LEU . 14.7 t -105.03 152.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -129.14 107.11 9.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.587 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.45 174.93 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -111.11 172.9 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.19 157.59 20.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -145.97 122.05 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 121' ' ' GLU . 6.7 tt -87.63 143.02 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -64.01 -49.9 70.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.91 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.1 mm-40 -49.63 -37.43 28.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.627 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -63.42 -69.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.52 ' HE2' ' CZ2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -42.63 -48.17 5.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.77 -61.56 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.813 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -63.99 -27.24 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -67.39 -60.29 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.7 -52.82 64.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -38.7 -46.97 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.96 -55.71 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.99 86.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.39 95.37 3.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 t -141.22 -56.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 77.15 -174.42 54.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.03 4.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.15 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.0 p -108.03 132.88 53.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -172.81 79.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 0.74 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.59 -58.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.83 141.22 7.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -111.95 -59.21 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.17 139.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.2 -65.25 0.48 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 14' ' ' PHE . 10.1 t -72.3 79.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.03 73.24 10.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.08 62.94 2.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 m -75.94 159.22 81.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.25 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 81' ' ' PHE . 96.5 mt -67.34 -62.65 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CE2' HG11 ' A' ' 8' ' ' VAL . 21.9 m-85 -83.38 54.84 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -52.56 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -101.77 17.28 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB2' ' CA ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -78.23 140.06 38.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 1.7 m-20 -109.67 151.33 27.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -45.82 -45.28 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.2 OUTLIER -54.88 -33.96 62.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 125' ' ' VAL . 7.3 tp -80.16 -28.49 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' CYS . 3.9 mm? -68.6 -57.27 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.74 -53.56 53.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.63 -62.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.4 mt -54.11 -35.52 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 1.3 m -65.4 -44.39 87.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.5 -18.68 42.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 3.0 mpt_? -82.02 -34.98 29.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 19.0 mt -43.29 121.9 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 154.02 39.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.79 3.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.769 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.5 m -148.83 157.56 43.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 113' ' ' GLU . 1.5 tp -140.07 153.73 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 40' ' ' LEU . 21.1 m-85 -106.57 111.59 24.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 1.2 p -91.58 -168.51 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.77 139.3 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt 68.98 26.88 5.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -102.5 117.69 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.19 126.53 37.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 58' ' ' LEU . 6.8 mp -87.94 -51.45 5.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.14 157.58 37.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 156.17 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.55 104.52 16.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.97 -27.18 6.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -89.82 156.28 47.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' PRO . 45.2 t -111.46 103.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -75.02 -45.1 44.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.84 150.61 44.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.916 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.7 ttt -95.29 141.78 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -109.53 131.7 54.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -111.66 101.37 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.11 115.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.9 mm -90.26 -43.59 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 119.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.765 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.49 -162.27 35.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.598 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -131.28 155.39 47.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD11 HG11 ' A' ' 112' ' ' VAL . 4.0 mp -158.38 171.2 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.824 ' HB3' HD11 ' A' ' 109' ' ' LEU . 9.5 pt-20 -125.05 129.3 49.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -95.55 125.67 40.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 t -133.59 143.46 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 63' ' ' THR . 2.8 t -151.75 149.11 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.654 HG21 ' CE2' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -152.06 93.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.403 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.96 142.12 45.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.36 -168.21 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.3 -68.9 0.79 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.64 85.36 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -58.52 139.0 56.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.28 147.65 4.62 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 49.48 99.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.654 ' CE2' HG21 ' A' ' 63' ' ' THR . 6.5 m-85 -82.62 139.63 33.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -93.42 101.1 13.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -95.91 152.75 18.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' SER . 5.1 m -156.93 172.83 17.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tp -129.31 157.63 41.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.46 165.44 17.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 -172.58 2.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 78' ' ' GLU . 7.1 pt-20 -75.12 117.97 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.97 -19.36 6.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.87 135.04 34.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.452 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.5 p90 -113.65 170.03 8.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.9 m -127.9 164.7 21.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.336 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.85 50.95 5.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -72.64 -37.29 68.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.21 -35.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.021 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -53.87 -47.79 70.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.949 HD12 HD11 ' A' ' 122' ' ' LEU . 1.4 tp -49.6 -54.77 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -64.13 -41.49 97.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.063 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 25.7 t90 -48.33 -54.91 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.524 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -61.57 -38.33 87.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.491 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.9 OUTLIER -74.19 -4.73 37.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -128.63 88.91 50.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -56.16 -33.97 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.38 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.15 -50.2 4.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.42 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.0 175.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mt -45.5 156.98 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.3 Cg_endo -75.02 171.24 18.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.534 1.807 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.9 t -121.22 142.79 49.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -62.71 161.79 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.2 p -98.47 -13.55 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -154.7 170.52 21.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.9 m -110.01 104.31 13.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.83 153.21 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -137.29 169.9 17.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 35' ' ' THR . . . -109.31 112.84 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -95.84 -27.17 15.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -137.11 169.38 17.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.467 ' CG ' HD21 ' A' ' 33' ' ' LEU . 3.2 tt0 -60.73 122.47 14.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.765 HG13 ' HA3' ' A' ' 56' ' ' GLY . 12.1 t -125.78 132.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.8 tt0 -103.14 118.49 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.06 175.23 13.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -117.45 165.79 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -103.71 168.8 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -155.17 119.34 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -82.92 143.59 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.063 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.56 -50.47 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.28 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.509 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -46.34 -46.47 18.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 87' ' ' LEU . 1.4 tt -55.06 -53.42 56.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 0.5 OUTLIER -57.71 -51.51 69.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -47.31 -60.25 2.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -62.95 -31.77 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.491 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -64.53 -50.38 67.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -54.82 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.72 -47.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.16 -56.8 4.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.37 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.12 131.09 6.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 55.9 p -171.63 155.02 3.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -75.83 -179.79 46.0 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.56 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.463 1.77 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -58.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -73.11 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 98.26 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -124.6 156.82 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.93 -120.41 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -152.11 -64.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.801 . . . . 0.0 109.961 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 165.63 132.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 15.13 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 8' ' ' VAL . 58.8 t -87.57 60.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.1 84.86 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 52.4 38.32 24.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.8 t -72.55 139.94 81.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.02 -32.54 5.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 81' ' ' PHE . 4.4 mt -41.95 -64.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 1.045 ' CD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-85 -77.39 58.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -52.2 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -101.55 -14.49 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 96.0 mtp -63.2 113.13 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.59 154.51 39.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -47.39 -48.94 25.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -44.61 -36.78 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 HG13 ' A' ' 125' ' ' VAL . 9.0 tp -75.5 -37.46 60.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.045 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.4 mm? -64.22 -55.72 19.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -54.46 -46.79 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -59.09 -36.63 75.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.521 ' O ' HD21 ' A' ' 117' ' ' LEU . 44.6 mt -77.43 -29.24 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 99.2 m -69.17 -55.72 9.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.249 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 4.1 pt-20 -50.59 -28.4 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -69.35 -35.59 76.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 117' ' ' LEU . 15.7 mt -39.97 126.33 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -105.94 154.26 39.58 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 107.6 2.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.6 m -150.68 158.37 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -142.69 151.95 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 19.8 m-85 -102.67 114.04 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.72 -168.32 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.365 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -71.96 144.0 49.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt 63.08 40.07 9.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -112.44 123.69 50.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.23 113.77 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 34' ' ' PHE . 9.6 mp -72.63 -58.85 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 104' ' ' ARG . 35.3 m -131.06 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.73 151.44 51.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -92.21 105.54 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 120.92 -27.95 6.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 158.24 43.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.5 Cg_endo -74.92 168.07 25.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 100' ' ' PRO . 21.2 t -113.33 115.56 50.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -85.31 -42.57 14.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.25 152.67 41.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.754 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.2 ttt -95.91 142.51 28.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.582 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -109.82 124.73 51.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.624 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.4 m-85 -104.57 101.49 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 53' ' ' ILE . 16.7 mm -60.75 119.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.2 mm -97.0 -48.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -168.12 145.06 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.22 -148.8 19.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.554 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.94 158.08 43.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -157.57 170.77 21.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.926 ' HB3' HD11 ' A' ' 109' ' ' LEU . 6.3 pt-20 -123.65 118.56 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p -100.76 139.25 36.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.22 151.66 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.444 HG22 ' HB2' ' A' ' 72' ' ' ASN . 12.2 t -140.12 154.06 46.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.539 HG21 ' CE2' ' A' ' 71' ' ' TYR . 2.8 t -172.8 55.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -81.74 112.31 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 55.86 104.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.33 -156.09 11.02 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -177.89 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.1 m -90.21 -57.54 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.964 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 134.88 83.53 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.7 102.1 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.539 ' CE2' HG21 ' A' ' 63' ' ' THR . 19.0 m-85 -98.01 116.79 30.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' HB2' HG22 ' A' ' 62' ' ' THR . 57.9 m-80 -81.93 95.74 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -85.87 142.45 28.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.1 m -148.59 172.03 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 tp -127.35 155.65 43.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 mt -124.96 158.72 32.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -137.07 178.85 6.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -53.18 127.72 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.23 -32.7 5.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.506 1.128 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.04 143.5 41.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -119.43 161.7 20.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 67.6 m -120.49 162.45 19.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.35 46.42 1.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.07 -36.19 82.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.88 -41.38 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.103 HD11 ' HB2' ' A' ' 119' ' ' ALA . 47.3 tp -52.02 -47.08 65.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.803 HD12 HD11 ' A' ' 122' ' ' LEU . 2.4 tp -51.51 -56.72 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -63.42 -43.24 98.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.026 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 41.4 t90 -42.41 -63.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.519 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.09 -50.19 59.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.53 -37.51 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -116.03 89.5 25.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.08 13.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -54.75 -34.18 62.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.7 -55.86 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.56 -178.58 30.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.11 -45.88 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -44.56 118.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.3 mt -47.67 156.83 0.63 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.1 Cg_endo -75.0 168.93 23.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.95 128.08 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -59.49 162.61 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.0 p -111.82 -0.19 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -163.13 147.12 11.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.7 m -97.52 148.32 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.9 t -136.95 144.14 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.82 156.48 44.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.65 117.32 34.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -99.32 -24.15 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.616 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.5 t -136.14 167.06 21.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.0 120.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 110' ' ' THR . 27.6 t -112.18 151.01 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.97 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.76 174.7 13.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -113.35 173.95 6.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.0 165.02 12.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.801 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.34 119.89 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.4 tt -84.38 144.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.103 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.02 -50.42 66.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -67.52 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.479 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -49.2 -42.15 39.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.803 HD11 HD12 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -60.12 -63.62 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.519 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -47.22 -50.37 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 27.2 t80 -48.89 -62.4 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -62.86 -28.68 45.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -66.17 -48.48 70.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -74.91 -48.95 22.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 3.6 mm-40 -38.24 -42.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -54.85 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 42.78 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -157.65 100.22 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.02 129.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -117.28 145.71 18.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 175.57 11.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.96 144.81 49.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -105.56 -60.31 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -60.3 -60.15 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.6 p -127.24 142.66 51.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.58 -100.42 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.15 -61.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t 65.29 91.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 52.5 4.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 8' ' ' VAL . 67.8 t -107.67 54.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.232 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -62.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.61 64.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 m -71.03 159.05 86.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -74.98 -21.76 15.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 84' ' ' ASP . 53.1 mt -54.3 -64.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.415 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 19.0 m-85 -82.17 57.87 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -83.28 -53.63 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.29 17.25 23.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -80.5 139.94 36.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' LEU . 49.8 m-20 -97.95 146.8 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -44.59 -40.06 5.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 6.5 mmm180 -59.24 -40.73 86.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 HG13 ' A' ' 125' ' ' VAL . 10.0 tp -65.65 -39.32 91.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.51 -65.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 26' ' ' CYS . 39.0 t0 -44.44 -61.96 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -42.42 -64.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -51.62 -32.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.504 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.4 -65.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.33 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -45.24 -34.32 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' LEU . 7.0 mmt-85 -63.02 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 117' ' ' LEU . 20.1 mt -38.07 119.38 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.84 153.42 37.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.3 m -148.64 160.83 42.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD21 ' HG3' ' A' ' 111' ' ' GLU . 0.8 OUTLIER -142.24 150.85 41.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 22.6 m-85 -104.59 110.98 23.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -85.52 -168.97 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.39 139.93 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt 68.73 29.46 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.1 m -97.2 113.85 25.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -95.79 114.94 26.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.8 mp -75.05 -59.45 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 104' ' ' ARG . 15.6 m -126.71 150.1 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.57 128.24 42.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 107.58 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.22 -24.5 6.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.147 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -99.75 159.04 31.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 170.34 20.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.85 104.16 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -74.47 -46.17 41.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.9 149.99 46.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.856 ' HB2' HD23 ' A' ' 86' ' ' LEU . 13.9 ttt -95.53 145.49 25.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mm? -111.01 129.03 56.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.712 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 26.0 m-85 -109.58 103.81 12.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 53' ' ' ILE . 17.7 mm -61.8 123.69 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.69 -45.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.69 117.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.04 -155.38 26.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -141.99 157.44 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 110.269 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -158.1 171.56 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.884 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.5 pt-20 -120.9 117.69 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -95.52 132.38 40.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.6 t -138.77 152.83 24.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 t -124.5 160.91 27.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -122.25 -51.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.0 90.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.76 104.27 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.95 -95.74 0.25 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.98 -54.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.2 152.76 44.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.88 -167.45 27.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.34 171.71 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -84.04 134.72 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.97 98.3 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 3.4 mpt_? -72.95 150.19 42.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 p -157.0 170.39 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -132.69 154.52 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.1 mt -112.94 164.32 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -122.87 -172.51 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.13 125.71 27.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.67 36.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 123.51 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 13' ' ' LEU . 13.0 p90 -104.37 163.45 12.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 68.3 m -125.3 167.07 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.355 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.23 55.91 2.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.644 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -77.28 -27.85 53.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.72 -21.73 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.4 tp -72.5 -46.17 55.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.938 HD12 HD11 ' A' ' 122' ' ' LEU . 3.4 tp -52.56 -48.04 66.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.52 -39.95 77.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.995 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 50.5 t90 -47.08 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -50.21 -49.76 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.3 mp -52.6 -29.84 27.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.27 111.72 57.54 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.03 8.62 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm -59.25 -26.96 65.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.0 m -101.24 92.5 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.21 55.02 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.99 -50.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.764 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -127.47 128.34 45.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.5 mt -47.56 157.49 0.56 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.457 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.02 164.31 33.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -121.16 125.18 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p -70.09 143.42 52.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 82.3 p -103.89 24.85 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.45 151.94 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.3 m -116.44 136.59 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.6 t -135.05 154.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.167 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.56 157.78 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.96 113.17 26.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.884 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -96.24 -21.86 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 111' ' ' GLU . 2.4 t -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.455 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.5 tt0 -68.19 113.03 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 58' ' ' LEU . 41.3 t -107.76 138.52 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.88 109.95 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.41 174.97 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 53.0 m-85 -113.87 169.4 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -107.49 165.19 11.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.85 121.92 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.8 tt -83.52 144.11 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.56 -50.18 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -39.98 -67.6 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.464 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.95 -44.73 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -50.62 -53.91 27.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.624 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -57.48 -51.93 67.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -50.26 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -51.37 -38.82 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.463 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -62.49 -68.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -51.95 -45.35 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.4 mm-40 -38.44 -57.11 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 17.2 m-85 -87.91 -58.29 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.22 128.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -178.01 102.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.87 93.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 46.04 -167.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 176.27 10.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.8 p -92.04 134.07 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.7 m -96.54 -60.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.11 -58.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.08 170.8 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.32 174.04 36.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.87 75.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -175.49 151.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.09 -104.38 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG22 ' H ' ' A' ' 9' ' ' ARG . 2.0 p -49.62 173.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' H ' HG22 ' A' ' 8' ' ' VAL . 0.3 OUTLIER 79.15 135.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.28 15.44 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 14' ' ' PHE . 15.0 m -81.51 159.12 67.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -8.95 20.6 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 44.5 mt -67.03 -62.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' HB3' HD21 ' A' ' 22' ' ' LEU . 5.1 m-85 -80.53 57.73 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -51.15 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -88.53 -27.62 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.644 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.3 ttm -48.61 161.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.48 156.33 18.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -53.13 -52.66 57.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 7.5 mmm180 -45.89 -35.06 4.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD23 ' CG ' ' A' ' 17' ' ' MET . 3.8 tp -72.65 -38.35 67.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 14' ' ' PHE . 4.4 mm? -62.13 -51.34 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -58.16 -52.5 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 28' ' ' ARG . . . -58.73 -58.62 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 21' ' ' LEU . 96.5 mt -53.99 -33.01 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 14.7 m -71.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.46 -28.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -70.93 -37.32 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 117' ' ' LEU . 19.4 mt -38.2 119.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.97 152.3 38.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.85 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.778 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 77.7 m -148.76 160.64 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.43 153.4 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 30.5 m-85 -113.18 110.46 20.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -80.31 -168.23 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.85 140.87 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 107' ' ' LYS . 3.8 mtmp? 70.78 30.08 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 5.5 m -97.01 120.86 38.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -102.48 105.31 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -65.45 -58.76 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 m -134.99 154.13 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.21 167.28 20.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.64 103.43 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.91 -34.06 4.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -78.57 153.12 78.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.95 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' PRO . 44.0 t -117.33 103.76 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -78.87 -45.63 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.54 149.57 42.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.728 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -95.84 148.38 22.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -117.07 117.55 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 64.7 m-85 -94.11 101.78 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 53' ' ' ILE . 30.9 mm -57.92 120.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -98.79 -54.61 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.84 127.7 4.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.15 -149.74 20.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -151.19 146.67 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 112' ' ' VAL . 4.4 mp -147.34 171.5 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.915 ' CD ' HD21 ' A' ' 109' ' ' LEU . 11.1 pt-20 -125.23 124.53 41.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -97.85 132.49 43.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.69 155.26 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 t -135.2 142.43 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 63' ' ' THR . 8.2 t -166.86 61.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.85 154.13 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.99 160.82 18.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.08 -58.41 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -149.37 97.01 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -149.41 169.72 20.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -129.65 -99.29 0.89 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.475 1.11 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -86.16 165.94 16.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -95.52 119.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.49 97.66 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 149.81 36.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.2 p -154.02 173.79 15.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.1 tp -134.97 154.95 51.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 80' ' ' ASP . 13.7 mt -119.25 158.4 26.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -172.14 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -71.01 121.85 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.4 -30.57 4.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -75.07 140.36 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 0.738 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.456 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.3 -174.62 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.36 163.53 28.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.86 40.31 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' HA ' ' HE2' ' A' ' 50' ' ' MET . 0.3 OUTLIER -58.57 -40.24 82.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -44.67 -25.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.927 HD11 ' HB2' ' A' ' 119' ' ' ALA . 17.4 tp -59.9 -46.05 90.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.607 HD13 ' HE1' ' A' ' 50' ' ' MET . 0.8 OUTLIER -49.22 -50.25 39.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -40.15 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.962 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 34.4 t90 -51.57 -54.17 30.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -64.61 -31.83 73.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -81.74 3.39 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -133.95 97.34 15.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -27.74 9.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -62.47 -29.92 70.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.69 170.27 12.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.71 -116.47 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.1 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m 45.67 45.58 11.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 t30 72.14 175.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.1 156.96 9.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.472 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 163.63 34.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -120.38 130.69 54.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -65.91 159.78 24.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.6 p -116.25 31.86 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.8 152.09 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 106' ' ' VAL . 94.7 m -109.14 153.47 23.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 105' ' ' THR . 45.2 t -153.32 151.43 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -144.34 146.09 32.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 107' ' ' LYS . . . -88.14 112.84 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.915 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -94.35 -22.17 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.662 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -138.18 169.37 17.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -55.17 112.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 110' ' ' THR . 13.5 t -106.94 142.35 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -124.27 110.92 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.4 174.9 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -110.38 166.08 11.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -110.2 156.2 20.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.663 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -141.75 120.04 12.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -85.18 143.27 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.962 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -63.09 -51.7 65.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -40.11 -69.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.475 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -51.6 -34.06 35.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -66.2 -69.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.489 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -41.85 -45.67 3.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.29 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.73 -39.32 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.436 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -60.38 -52.55 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -50.42 66.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -38.82 -47.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -78.03 -43.14 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.69 146.62 13.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.62 -53.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.7 t 75.73 -59.32 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 69.82 -132.01 23.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.51 2.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.498 1.789 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.7 t -126.83 114.1 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.4 t -114.38 152.6 31.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -56.81 6.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.743 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -176.37 -52.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.41 38.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -69.27 136.33 51.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -113.08 132.68 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.92 78.18 0.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.462 ' HB ' ' CD2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -165.32 -46.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 61.19 -90.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 11.7 ttp180 -136.47 37.5 2.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.513 ' CG1' HD12 ' A' ' 13' ' ' LEU . 1.9 t -77.62 140.13 63.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.03 -30.48 7.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 ' CG1' ' A' ' 11' ' ' VAL . 5.0 mt -42.65 -54.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.768 ' CD1' HD11 ' A' ' 22' ' ' LEU . 22.1 m-85 -82.61 54.77 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -52.53 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -104.31 13.82 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.8 mtp -94.28 118.26 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -62.84 157.59 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.83 -47.19 80.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -49.7 -29.84 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 125' ' ' VAL . 12.0 tp -73.52 -36.12 65.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.5 mm? -62.93 -61.87 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -51.62 -45.35 63.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -56.78 -56.8 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mt -62.7 -22.97 31.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 18.3 t -75.56 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.76 -26.26 9.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 1.6 mmt85 -71.52 -38.97 71.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 117' ' ' LEU . 18.8 mt -37.82 123.33 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -103.57 149.02 36.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 112.82 3.65 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 p -148.87 168.79 22.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 108.345 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.54 163.99 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 43.0 m-85 -124.9 112.68 16.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -79.13 -168.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.83 144.9 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt 68.42 29.71 5.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.5 m -96.38 117.46 30.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 5.3 m-85 -99.02 104.38 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -62.39 -55.23 29.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.3 m -136.3 154.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -128.1 165.11 21.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.91 100.12 12.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.07 -30.16 5.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 15.7 p-10 -81.56 155.37 71.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 100' ' ' PRO . 22.5 t -120.0 101.74 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -46.83 44.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.45 153.07 50.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.598 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.3 ttt -97.71 145.81 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -112.05 130.16 55.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.589 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 19.8 m-85 -111.56 101.44 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 mm -55.3 125.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 10.8 mm -100.76 -44.7 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.11 98.08 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.08 -149.08 6.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.673 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -150.03 159.28 44.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 0.753 . . . . 0.0 110.277 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 112' ' ' VAL . 3.4 mp -162.35 171.99 16.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.827 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.6 pt-20 -119.09 126.79 52.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.3 t -101.53 127.06 48.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.8 t -133.39 153.51 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -134.81 150.3 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.904 HG22 ' CE2' ' A' ' 71' ' ' TYR . 74.6 p -119.18 -39.26 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.75 116.21 19.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.62 -70.27 0.1 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.17 98.61 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 63.43 137.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.04 127.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.83 121.37 5.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -156.51 109.93 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.904 ' CE2' HG22 ' A' ' 63' ' ' THR . 4.8 m-85 -92.07 105.94 18.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -80.74 99.3 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.774 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -75.01 154.82 37.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -161.34 169.84 21.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.45 154.66 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 mt -121.6 156.73 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -136.96 -179.21 5.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 125.21 18.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.79 -30.47 5.7 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.71 142.56 33.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -115.97 174.4 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.1 m -134.56 161.91 33.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 108.266 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.43 56.72 2.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.87 -29.77 44.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -45.74 -26.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 28.1 tp -65.57 -54.66 24.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 122' ' ' LEU . 10.3 tp -42.76 -54.56 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.19 -44.02 93.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.036 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 45.2 t90 -47.62 -62.47 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.021 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -54.52 -47.77 72.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.825 HD12 ' HB1' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -54.04 -27.61 33.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.93 112.64 62.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -29.69 7.99 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -62.42 -42.73 99.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 m 48.97 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.61 -60.16 0.7 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.1 t -178.31 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.02 175.29 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.0 mt -48.31 157.35 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 159.14 41.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 p -120.6 125.76 48.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -67.41 153.2 44.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 41.6 p -107.17 24.64 12.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.29 153.13 15.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 106' ' ' VAL . 8.6 m -109.01 155.0 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 105' ' ' THR . 32.6 t -153.31 145.33 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -137.64 146.75 44.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.29 111.02 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.827 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.45 -26.97 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 4.5 t -134.85 155.91 49.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -40.23 112.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.72 HG11 HD11 ' A' ' 58' ' ' LEU . 2.7 t -103.94 142.46 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -128.49 107.64 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.36 174.79 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . 55.2 m-85 -111.12 161.31 16.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.83 160.03 14.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.651 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -143.74 119.8 10.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.431 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -82.12 142.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.036 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.85 -46.02 83.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -69.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 5.5 mm-40 -50.76 -34.42 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 90' ' ' ALA . 1.4 tt -63.61 -69.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.67 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 1.7 ttpp -40.68 -47.62 2.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.35 -67.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.602 HG22 HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -56.3 -32.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.825 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -70.28 -23.81 62.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER -90.16 -40.71 12.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.038 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -45.82 -64.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 21' ' ' LEU . 73.4 m-85 -82.64 -60.61 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 11.7 ptt180 42.1 28.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 129' ' ' PHE . 0.7 OUTLIER -75.84 116.58 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.2 m 63.85 147.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.02 166.84 16.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.71 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.98 111.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 t -172.06 132.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -135.96 -59.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.961 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.88 -57.95 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 142.03 3.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.4 p -121.36 139.58 53.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.16 98.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -153.91 -141.55 3.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' ARG . 24.7 m 39.18 61.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.95 79.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 38.96 64.61 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.5 m -75.94 158.94 81.86 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.01 -10.7 21.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 38.5 mt -60.69 -64.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.53 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 37.6 m-85 -83.25 56.14 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -85.49 -53.36 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -87.85 -22.0 24.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.53 ' CG ' ' HA ' ' A' ' 14' ' ' PHE . 6.9 mmm -47.7 156.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -89.77 147.54 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' LEU . 3.3 tt0 -47.7 -64.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -45.93 -28.96 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.713 HD12 HG22 ' A' ' 125' ' ' VAL . 7.5 tp -64.31 -42.19 96.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 14' ' ' PHE . 3.2 mm? -55.93 -51.32 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.5 -42.37 92.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.06 -59.68 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.446 HG23 HD21 ' A' ' 117' ' ' LEU . 53.8 mt -57.97 -29.98 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 5.2 m -69.25 -53.89 17.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.67 -22.46 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.36 -33.65 58.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 17.7 mt -44.73 121.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -106.92 153.63 40.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.75 2.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.8 m -150.43 158.82 44.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -141.12 154.2 45.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 48.0 m-85 -113.15 110.93 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -79.78 -169.14 1.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -66.29 143.36 57.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt 65.52 38.15 5.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 m -103.56 120.08 40.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -97.47 113.63 25.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.23 -56.16 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.44 153.41 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 160.07 38.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.5 106.08 18.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.23 -35.35 3.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -83.22 153.62 66.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 t -119.59 107.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.32 -45.27 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.48 149.57 44.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -95.95 148.11 22.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mm? -114.94 121.24 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -99.42 102.08 13.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -58.01 123.68 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.483 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.9 -51.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.79 124.48 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.723 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 151.11 -169.45 30.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -129.25 153.7 47.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.776 HD11 HG11 ' A' ' 112' ' ' VAL . 2.7 mp -155.61 171.89 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.779 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.0 pt-20 -123.56 133.89 53.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.9 t -110.23 135.03 51.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 73' ' ' ARG . 2.9 t -140.85 145.14 25.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.6 t -152.25 143.73 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.44 HG21 ' CZ ' ' A' ' 71' ' ' TYR . 72.6 p -115.91 -2.14 12.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.68 130.88 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.3 122.08 2.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.64 -69.92 2.19 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.38 153.18 17.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 0.787 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.15 132.85 44.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.45 -149.35 8.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.03 172.49 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.44 ' CZ ' HG21 ' A' ' 63' ' ' THR . 6.7 m-85 -69.44 128.71 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -98.43 100.16 11.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HD2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -85.56 153.0 22.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -159.41 173.39 16.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tp -124.15 144.44 49.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 80' ' ' ASP . 35.3 mt -107.87 110.88 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -77.05 166.48 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -58.48 121.6 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.25 -37.94 2.25 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 76' ' ' LEU . 32.3 t70 -69.24 163.0 25.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -133.07 177.68 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 56.5 m -130.69 167.87 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.92 39.41 0.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.5 OUTLIER -63.0 -25.41 68.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -48.95 -38.21 22.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.023 HD11 ' HB2' ' A' ' 119' ' ' ALA . 52.6 tp -50.34 -41.98 52.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.744 HD12 HD11 ' A' ' 122' ' ' LEU . 0.8 OUTLIER -57.94 -50.28 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -37.85 88.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.878 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.9 t90 -48.64 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.021 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -51.69 -48.82 63.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -52.49 -23.54 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.55 106.31 55.77 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -28.05 9.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.97 -35.92 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.45 78.96 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.98 75.08 0.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.57 -53.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -134.97 137.62 43.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.8 mt -45.69 157.94 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.47 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 163.03 36.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -119.8 127.13 52.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.1 p -77.14 122.63 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 t -87.01 44.29 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.6 152.21 2.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.9 m -117.96 137.59 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 49.7 t -134.19 152.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -144.36 156.43 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.91 13.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.779 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -83.34 -24.75 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 2.7 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.423 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.59 133.83 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.776 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -135.48 158.03 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.38 116.0 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.24 174.88 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -109.85 175.02 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.01 151.34 36.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.446 HD21 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -136.53 123.17 21.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 117' ' ' LEU . 6.9 tt -85.74 144.76 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.023 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.69 -48.03 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CB ' ' HG2' ' A' ' 28' ' ' ARG . 3.8 mm-40 -48.65 -29.91 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.744 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -68.01 -69.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.673 ' CG ' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -41.08 -48.43 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.481 ' CE2' ' HG3' ' A' ' 128' ' ' GLN . 46.8 t80 -54.22 -69.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.713 HG22 HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -53.41 -29.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.33 -38.25 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -43.02 19.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.481 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 3.3 mm-40 -38.75 -67.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -80.37 -60.91 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 -177.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.2 107.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 82.7 p -149.64 162.5 40.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -55.15 160.86 5.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 141.97 27.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.39 160.96 42.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.06 131.38 5.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 145.5 51.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -165.64 -59.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.75 -138.33 24.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p 53.08 78.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -106.97 -39.48 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' HG23 ' A' ' 8' ' ' VAL . . . -91.89 50.09 2.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.441 ' HA ' ' CG2' ' A' ' 11' ' ' VAL . 49.3 t -152.57 -49.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.8 101.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 70.74 41.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.585 HG11 HD12 ' A' ' 13' ' ' LEU . 1.7 t -86.25 140.68 34.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.95 -31.53 6.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.641 HD11 ' CD2' ' A' ' 81' ' ' PHE . 4.4 mt -41.6 -50.86 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' HB3' HD21 ' A' ' 22' ' ' LEU . 20.1 m-85 -88.23 50.75 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.9 -53.36 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -97.08 15.1 23.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 25' ' ' ILE . 89.9 mtp -100.94 137.57 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' CG ' ' CE1' ' A' ' 129' ' ' PHE . 4.1 m-20 -80.8 158.15 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.4 mt-10 -56.78 -47.49 80.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -49.88 -25.77 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 125' ' ' VAL . 6.4 tp -78.76 -34.76 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 14' ' ' PHE . 1.5 mm? -59.34 -52.5 65.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.05 -53.76 44.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.635 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -48.08 -52.06 21.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' CE ' ' A' ' 17' ' ' MET . 67.2 mt -67.66 -30.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' LEU . 42.7 t -67.48 -66.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -28.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -67.85 -42.22 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 117' ' ' LEU . 15.8 mt -39.45 118.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 152.16 39.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.94 2.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.3 m -141.74 163.13 33.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.11 149.35 38.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 12.3 m-85 -116.77 134.38 54.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -115.55 -168.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.387 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.91 141.52 58.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? 68.97 38.35 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -113.08 120.98 43.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 29.2 m-85 -99.28 119.29 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 9.5 mp -82.78 -59.08 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 m -132.38 157.2 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -126.91 160.91 29.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.94 118.25 32.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.94 -30.89 7.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 12.2 p-10 -87.66 157.3 52.49 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -74.99 171.8 17.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.07 112.99 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -84.28 -43.29 14.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -141.72 147.03 36.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.503 ' HG2' ' CE1' ' A' ' 52' ' ' PHE . 17.3 ttt -96.36 142.73 28.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 116' ' ' ALA . 1.3 mm? -110.13 136.67 48.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 8.5 m-85 -112.64 101.01 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.5 mm -53.34 124.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 14.6 mm -98.81 -49.52 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -171.25 137.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 137.81 -161.09 25.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.565 1.165 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -128.83 163.35 25.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 57' ' ' ARG . 2.6 mp -157.55 171.43 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.85 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.2 pt-20 -118.7 121.17 39.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.7 t -96.82 132.7 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.35 142.2 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 71' ' ' TYR . 8.9 t -141.76 131.24 23.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.354 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 71' ' ' TYR . 59.1 p -99.43 -57.04 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.18 118.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.69 -72.8 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.77 72.21 0.46 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 40.21 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.59 150.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.65 148.39 4.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -54.47 104.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.487 ' HB3' HG22 ' A' ' 63' ' ' THR . 6.0 p90 -47.45 151.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -87.89 108.2 19.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.39 144.38 48.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.6 m -151.19 174.11 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 59' ' ' GLU . 3.2 tp -131.27 150.43 52.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -118.87 158.15 26.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -131.14 -172.14 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 2.8 mt-10 -66.12 120.43 13.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.65 -30.2 4.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 140.49 38.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.641 ' CD2' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -117.42 167.01 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 71.5 m -124.24 165.8 16.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.16 32.43 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -62.37 -29.87 70.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 103' ' ' THR . 6.2 mp0 -51.75 -34.68 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.6 tp -59.27 -55.6 32.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.505 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.74 -48.87 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -70.13 -44.56 68.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 110.422 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.798 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -42.74 -66.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 107.983 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -48.71 -48.41 40.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.42 -26.74 61.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' THR . 15.3 t0 -88.37 117.17 68.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.17 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -49.12 -41.39 35.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.99 120.51 22.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.58 74.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.51 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.039 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -138.33 130.55 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.6 mt -45.54 157.71 0.36 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.0 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -121.35 140.62 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.4 t -63.57 163.45 11.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.475 HG23 ' OE1' ' A' ' 85' ' ' GLU . 8.2 p -94.96 -33.76 12.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.84 153.0 31.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 40.2 m -86.13 114.27 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 46.9 t -107.15 148.61 11.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 2.8 ttpt -139.03 161.0 38.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.21 120.08 41.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -102.75 -27.87 12.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.0 t -129.45 156.04 44.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -42.82 133.1 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.418 HG12 ' HA3' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -140.12 165.87 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.64 124.6 13.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 54' ' ' ILE . . . -160.27 175.25 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.12 163.98 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -105.26 160.54 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.894 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -150.41 119.78 6.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' A' ' 121' ' ' GLU . 9.5 tt -83.62 146.37 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.989 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -68.18 -51.88 40.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.2 OUTLIER -39.89 -70.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.522 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.5 mm-40 -47.83 -29.56 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.505 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -66.49 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.652 ' CD ' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -44.01 -45.28 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -53.49 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.635 HG21 ' HB1' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -55.44 -29.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -42.79 44.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -38.49 -47.67 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.466 ' CE1' ' CG ' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -96.93 -50.02 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.066 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -53.29 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.47 149.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.1 m -98.01 81.91 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -119.32 -169.18 14.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.41 105.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.0 t 44.88 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.49 -58.12 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.56 131.17 3.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.1 158.64 31.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p 174.76 -56.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 99.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.7 -92.85 0.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.713 HG11 ' CE2' ' A' ' 14' ' ' PHE . 33.2 m -92.75 37.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -11.36 57.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.05 39.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 1.5 t -81.81 140.76 47.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 -33.0 4.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . 9.9 mt -42.12 -64.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.713 ' CE2' HG11 ' A' ' 8' ' ' VAL . 74.5 m-85 -76.44 54.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.28 -53.45 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -81.04 -21.6 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.804 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.2 153.22 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 21' ' ' LEU . 7.8 m-20 -110.12 154.15 23.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.91 -52.95 8.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 0.1 OUTLIER -54.45 -31.37 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.5 tp -77.35 -33.1 55.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.94 -51.24 68.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' CYS . 34.2 t0 -63.64 -57.84 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -40.97 -60.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 HD21 ' A' ' 117' ' ' LEU . 72.6 mt -56.79 -36.98 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -59.29 -55.6 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.84 -23.47 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.712 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -74.34 -41.67 60.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' CD2' HD23 ' A' ' 117' ' ' LEU . 16.4 mt -42.69 119.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.92 149.91 36.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 94.17 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.1 m -128.6 161.11 30.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.276 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.09 148.83 39.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 37.6 m-85 -109.37 112.25 24.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -82.9 -168.59 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -68.46 140.2 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 67.46 36.43 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 m -103.89 117.21 33.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 37.1 m-85 -93.04 117.77 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.73 -56.16 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.1 m -133.35 154.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mtm180 -135.44 145.14 46.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -82.63 118.55 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 -35.83 3.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.5 156.29 35.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.28 16.68 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.0 t -110.57 106.71 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.99 -45.39 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.25 152.48 50.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.544 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.0 ttt -99.08 144.27 28.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 mm? -111.89 127.61 55.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.698 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 71.7 m-85 -108.66 103.09 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.99 125.33 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.0 mm -102.58 -51.11 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.36 108.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.96 -155.68 24.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -143.05 157.29 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.285 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 112' ' ' VAL . 2.3 mp -157.59 171.79 19.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.803 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.7 pt-20 -124.22 136.91 54.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.09 126.12 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.631 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.4 t -133.65 149.42 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.8 t -144.75 157.8 44.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.773 HG21 ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -170.29 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -70.7 142.49 51.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.78 -155.84 41.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 45.06 -151.86 0.76 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -148.47 85.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.0 p -162.73 169.28 20.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -108.41 -77.9 1.04 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -52.16 143.67 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.773 ' CE2' HG21 ' A' ' 63' ' ' THR . 5.3 m-85 -77.21 126.7 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -88.61 95.27 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' A' ' 61' ' ' VAL . 1.3 mpt_? -77.85 151.02 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 m -164.13 173.48 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tp -129.57 155.84 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 mt -109.73 166.0 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -95.03 -172.64 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -84.78 115.52 22.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.48 6.17 21.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.28 134.6 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -115.66 147.47 40.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 78.8 m -117.65 175.07 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.319 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.35 36.95 0.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.46 -24.57 67.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.75 -28.92 52.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.092 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.1 tp -57.68 -55.71 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 122' ' ' LEU . 5.3 tp -44.46 -48.1 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -44.21 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.046 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.1 t90 -43.39 -59.05 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.634 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -55.26 -54.75 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.623 HD21 ' CE ' ' A' ' 17' ' ' MET . 0.9 OUTLIER -51.9 -21.63 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -101.47 107.81 52.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.65 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -48.99 -35.91 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLY . 0.1 OUTLIER -50.1 100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.049 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' SER . . . -55.52 -163.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.75 72.71 6.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -157.11 106.73 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.5 mt -51.03 158.6 1.16 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.72 2.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 m -121.5 146.75 46.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.2 p -70.62 163.25 27.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 p -91.42 -41.82 10.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -156.42 163.62 39.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.6 m -86.1 106.45 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.404 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 24.7 t -105.47 144.31 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 7.3 ttpt -132.31 165.0 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.64 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -95.88 -27.43 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.5 t -135.1 158.83 43.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -44.19 118.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 58' ' ' LEU . 12.7 t -109.51 145.2 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.35 105.75 8.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.16 174.95 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -111.52 171.65 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.28 166.27 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.514 HD21 HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -151.03 123.85 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.712 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.8 tt -87.9 143.7 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.092 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.5 -49.24 69.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.22 -70.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 16.9 mm-40 -48.71 -37.73 19.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -61.11 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.634 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ttpp -50.89 -46.41 60.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.47 -61.23 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.529 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -62.24 -29.2 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.95 -56.54 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.7 m -61.33 -50.35 73.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -38.74 -46.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -81.82 -52.23 7.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.41 82.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 94.27 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -151.07 140.34 21.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.15 170.33 13.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 51.4 p -65.92 139.3 58.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.78 165.63 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t 63.08 92.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -171.81 163.91 6.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.95 -132.57 40.08 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -172.36 100.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.01 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 159.81 18.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.03 -65.36 1.54 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -81.15 57.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -47.26 10.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -176.52 63.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.55 159.1 83.13 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CG ' ' A' ' 81' ' ' PHE . 63.7 mt -63.29 -59.62 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -82.66 58.12 4.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -52.63 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -86.77 -17.02 34.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.585 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -50.58 154.13 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.493 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.2 t70 -110.22 156.32 20.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.95 -50.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -58.44 -29.39 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.0 tp -75.01 -32.59 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.4 mm? -65.49 -55.32 18.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.24 -42.46 91.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -60.28 -60.02 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -59.9 -32.4 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 21.7 m -68.13 -65.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -47.15 -28.2 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 6.3 mmt85 -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 117' ' ' LEU . 18.0 mt -37.29 130.39 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -107.1 151.79 40.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.1 m -150.06 157.54 43.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -140.21 150.16 43.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 27.8 m-85 -108.08 112.6 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -82.48 -168.52 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -68.73 141.92 55.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 67.47 34.55 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 14.9 m -95.98 119.59 34.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -98.26 106.27 18.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.32 -56.98 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 104' ' ' ARG . 32.3 m -134.32 154.07 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' CB ' ' OD1' ' A' ' 45' ' ' ASP . 1.6 mtm180 -135.36 138.92 43.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 125.25 25.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.69 -33.79 6.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.504 ' OD1' ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -89.48 148.23 39.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 172.85 15.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.0 t -109.13 120.64 60.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.34 -40.64 11.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' N ' ' OE2' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -142.65 149.92 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.858 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.7 ttt -97.39 144.87 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.565 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.4 mm? -115.15 117.57 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.723 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 79.5 m-85 -93.91 106.0 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.0 mm -60.73 121.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mm -99.83 -46.92 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.06 106.71 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.17 -168.5 41.05 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HB2' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -133.69 154.22 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -155.87 171.41 20.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.745 ' HB3' HD11 ' A' ' 109' ' ' LEU . 10.8 pt-20 -122.45 131.22 53.77 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 130.39 50.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.753 HG22 ' HG3' ' A' ' 73' ' ' ARG . 2.6 t -136.35 147.13 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.4 t -116.73 140.91 48.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 p -111.3 -18.14 13.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.65 153.4 23.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.27 -78.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.28 -73.24 0.14 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.43 91.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 92.5 p 43.21 82.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.17 66.9 0.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 53.92 170.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -110.51 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.99 104.03 16.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HG3' HG22 ' A' ' 61' ' ' VAL . 5.9 mtp180 -81.57 151.52 27.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.4 m -158.57 172.32 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.72 157.02 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.172 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -114.07 170.01 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.9 pttt -118.67 -173.86 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.57 127.42 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 108.2 0.75 33.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.78 174.75 5.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -155.98 142.91 18.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.4 m -107.85 158.91 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 40.18 50.68 3.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -69.91 -33.85 72.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.43 -26.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.026 HD11 ' HB2' ' A' ' 119' ' ' ALA . 37.8 tp -62.8 -42.93 99.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 122' ' ' LEU . 9.2 tp -52.16 -50.86 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.37 -41.08 81.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.032 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.2 t90 -45.37 -56.43 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -57.83 -51.68 68.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 126' ' ' ALA . 1.7 mp -52.21 -34.23 44.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 8.0 m-20 -75.98 126.34 87.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.51 2.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' SER . 78.0 p 43.82 50.11 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -95.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' SER . 15.0 p -157.14 -48.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -117.83 170.62 8.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.2 mt -41.91 159.44 0.18 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.5 Cg_endo -74.95 -169.05 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.55 146.43 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.6 p -69.91 163.7 25.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -89.72 -42.51 11.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.65 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -161.15 168.99 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.6 m -87.69 104.94 17.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.96 144.85 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.86 144.23 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -82.99 114.66 21.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.745 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -97.27 -25.71 15.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.6 t -134.62 158.81 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -41.81 122.77 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 58' ' ' LEU . 3.4 t -117.74 149.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -134.25 109.08 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.48 175.11 13.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.435 ' HB2' HD22 ' A' ' 29' ' ' LEU . 59.0 m-85 -111.97 162.5 15.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -103.83 156.08 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.718 HD23 HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -143.58 121.57 12.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.46 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -84.16 143.12 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.032 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.08 -48.78 74.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -66.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.2 mm-40 -54.44 -35.56 63.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.74 HD11 HD12 ' A' ' 87' ' ' LEU . 1.6 tt -63.44 -67.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.613 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -38.96 -52.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -46.0 -68.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.547 HG22 HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.27 -28.14 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.39 -60.03 3.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.4 OUTLIER -63.44 -45.71 89.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 127' ' ' SER . 4.3 mm-40 -38.61 -37.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.64 -46.73 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.3 -47.43 13.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.54 -61.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.4 -54.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -154.59 157.55 27.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 103.17 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.6 t -104.67 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.72 107.1 13.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 -57.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 109.974 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -168.07 151.42 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.78 -140.32 16.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -169.61 143.32 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.62 86.12 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.31 156.98 25.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t 51.17 63.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -89.48 -35.71 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.68 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.701 HG11 ' CD2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -68.26 127.94 93.22 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.2 Cg_endo -75.02 -33.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.471 1.774 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 ' CD2' ' A' ' 81' ' ' PHE . 24.6 mt -41.86 -64.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.701 ' CD2' HG11 ' A' ' 11' ' ' VAL . 6.4 m-85 -84.13 55.94 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -82.57 -53.18 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.443 HD21 HD21 ' A' ' 91' ' ' LEU . 12.7 p30 -81.26 -32.17 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.0 mtm -51.5 142.15 14.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.1 m-20 -105.46 158.09 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.99 -55.19 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -47.43 -42.45 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 125' ' ' VAL . 12.9 tp -67.43 -35.21 78.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD22 ' HE3' ' A' ' 17' ' ' MET . 4.6 mm? -65.08 -60.39 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -49.95 -46.81 52.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.04 -63.7 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.445 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 65.1 mt -52.42 -26.17 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 20.2 m -76.33 -60.52 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.0 -25.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -73.7 -35.36 65.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 18.8 mt -38.95 126.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.05 152.37 39.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.24 2.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.6 m -150.64 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.35 154.96 45.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 16.3 m-85 -107.97 111.06 22.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -86.58 -170.76 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.89 137.86 58.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt 69.58 25.93 5.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.1 m -91.98 114.32 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 107' ' ' LYS . 32.4 m-85 -90.84 113.39 25.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.14 -51.14 11.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' ARG . 24.3 m -141.31 154.66 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -131.13 140.24 49.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -78.51 110.27 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.62 -34.53 3.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 28.7 p-10 -87.42 158.15 52.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.02 23.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.533 ' O ' HD22 ' A' ' 99' ' ' LEU . 40.1 t -108.61 117.2 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -89.49 -42.71 11.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.39 151.32 39.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.733 ' HB2' HD23 ' A' ' 86' ' ' LEU . 8.5 ttt -97.54 142.65 29.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.595 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -112.66 119.01 36.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 80.1 m-85 -94.79 102.83 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 53' ' ' ILE . 10.4 mm -59.78 118.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 20.7 mm -98.27 -48.54 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.98 144.95 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.33 -155.6 21.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.132 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.91 157.99 44.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 HG11 ' A' ' 112' ' ' VAL . 3.1 mp -155.79 169.41 24.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.891 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.6 pt-20 -112.51 112.96 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.1 p -98.1 128.41 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' ARG . 3.0 t -137.1 135.22 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 t -119.21 152.49 36.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.66 -44.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t70 54.01 74.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.21 131.14 48.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.9 31.07 5.25 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.36 -47.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.41 160.89 23.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.034 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -114.71 -65.01 0.42 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -50.87 152.38 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -111.19 116.02 30.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.61 103.37 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.53 ' HG3' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -78.09 141.36 38.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -154.2 172.99 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.658 HD23 ' H ' ' A' ' 76' ' ' LEU . 0.8 OUTLIER -129.01 145.24 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 75' ' ' LEU . 21.8 mt -101.66 158.51 16.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -120.37 179.82 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 125.46 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.08 -28.03 7.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.25 138.99 44.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.542 ' CD2' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -118.13 153.77 33.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 74.2 m -105.57 163.75 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.297 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.17 48.96 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -66.32 -39.03 89.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' ASP . 14.7 mm-40 -38.27 -33.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 119' ' ' ALA . 24.7 tp -55.48 -57.42 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.935 HD12 HD11 ' A' ' 122' ' ' LEU . 1.1 tp -43.04 -51.93 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.69 -44.37 81.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.993 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 40.8 t90 -45.71 -62.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 107.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -49.91 -38.83 37.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -66.93 -29.77 69.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -92.51 114.42 62.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.65 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -69.12 -40.28 78.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.3 p 63.84 139.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.9 44.96 3.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.36 93.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 68.88 176.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 47' ' ' VAL . 20.2 mt -44.03 157.37 0.29 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -172.78 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.5 p -121.35 138.24 54.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 42' ' ' ARG . 24.6 p -58.36 163.19 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.9 p -88.91 -38.5 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -155.03 173.04 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -93.94 102.52 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 43.0 t -102.85 138.92 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 1.5 ttpt -135.25 145.56 47.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -90.41 128.08 36.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -112.0 -27.38 8.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -128.28 162.22 27.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.403 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -47.41 115.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 110' ' ' THR . 18.8 t -108.1 154.94 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.32 107.99 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.51 174.73 13.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -113.5 166.29 11.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -105.57 168.39 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.97 119.94 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.3 tt -84.46 143.17 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.007 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -62.67 -50.28 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.01 -68.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.7 mm-40 -51.56 -36.29 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.935 HD11 HD12 ' A' ' 87' ' ' LEU . 1.1 tt -61.72 -65.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.577 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.2 ttpp -48.12 -45.16 32.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -52.35 -62.93 1.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 21' ' ' LEU . 1.3 p -58.86 -29.09 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -67.91 -31.12 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -84.16 -47.36 10.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . 4.7 mm-40 -37.59 -68.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.483 ' CD1' HD13 ' A' ' 21' ' ' LEU . 82.0 m-85 -79.3 -60.66 2.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.34 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 61.73 141.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.15 158.34 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -91.82 -160.38 36.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 86.93 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.51 -64.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 t -171.68 -59.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 66.3 150.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.15 86.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -117.69 0.51 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -162.87 85.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -79.94 155.7 27.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.67 -148.62 1.81 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 8' ' ' VAL . 49.0 t 59.2 56.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.272 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 79.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.74 64.43 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.5 m -69.97 159.06 85.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -74.96 -20.86 16.53 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' A' ' 81' ' ' PHE . 30.6 mt -54.09 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -77.81 56.19 1.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -92.96 -52.12 4.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -88.75 -27.73 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.585 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.5 ttm -53.37 135.58 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -92.05 149.01 21.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' LEU . 1.5 mt-10 -44.25 -53.94 6.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 129' ' ' PHE . 14.9 mmm-85 -47.52 -36.65 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD11 HG13 ' A' ' 125' ' ' VAL . 12.1 tp -75.54 -31.57 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 17' ' ' MET . 3.9 mm? -64.45 -51.41 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -60.3 -55.76 29.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.57 -43.0 45.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.71 -44.71 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.622 ' SG ' HD12 ' A' ' 29' ' ' LEU . 5.4 t -57.21 -50.48 72.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.303 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -25.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.796 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -76.93 -44.49 31.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD12 ' SG ' ' A' ' 26' ' ' CYS . 38.7 mt -38.65 104.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.48 158.46 43.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.373 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 109.31 2.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.1 m -147.43 153.32 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.24 151.18 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 40' ' ' LEU . 49.6 m-85 -113.69 139.62 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -116.38 -173.18 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 137.74 57.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? 69.89 40.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 58.2 m -113.93 126.87 55.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 107' ' ' LYS . 20.0 m-85 -102.45 120.2 40.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 8.8 mp -85.78 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.9 m -127.14 153.99 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.08 125.5 42.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.01 128.5 36.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.67 -39.44 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -80.17 159.34 70.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -74.98 165.52 31.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.5 t -115.98 125.29 73.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -91.43 -38.75 12.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.05 149.52 38.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 1.003 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -95.9 143.07 27.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -111.2 127.32 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 32.0 m-85 -104.7 101.88 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 53' ' ' ILE . 18.2 mm -56.03 117.04 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.4 mm -93.52 -55.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.64 128.84 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.31 -173.97 23.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 161.4 23.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.539 ' CD1' HG11 ' A' ' 112' ' ' VAL . 2.7 mp -153.66 171.65 18.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.774 ' HB3' HD11 ' A' ' 109' ' ' LEU . 5.8 pt-20 -117.32 119.4 35.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 t -98.55 130.63 45.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.45 153.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -123.71 144.48 49.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.1 p -109.58 -47.75 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -88.33 131.45 34.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.41 -102.34 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.96 172.1 21.03 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.97 -55.96 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 0.77 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 p -56.58 -51.19 69.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 170.96 -141.41 6.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.599 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 m-85 -98.21 -26.32 14.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 70' ' ' PHE . 35.3 m-85 -167.72 106.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -85.97 96.36 9.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -79.91 150.23 30.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -146.05 172.59 13.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 14.6 tp -129.51 157.68 41.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 4.6 mt -133.12 159.07 41.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -133.64 -179.69 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.85 124.76 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.18 -41.61 1.81 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.14 146.33 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CE2' ' CD1' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -119.55 176.95 5.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 55.1 m -131.36 160.14 35.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.92 27.59 1.04 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.503 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 0.2 OUTLIER -50.65 -36.94 37.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -45.28 -26.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.052 HD11 ' HB2' ' A' ' 119' ' ' ALA . 49.2 tp -66.0 -43.64 87.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 122' ' ' LEU . 3.0 tp -54.94 -52.71 62.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.74 -38.35 86.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.18 . . . . 0.0 110.418 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.147 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.6 t90 -46.06 -64.21 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 107.955 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 123' ' ' LYS . . . -51.36 -53.77 33.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -27.06 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 14.0 t70 -87.55 117.72 68.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -32.04 5.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -55.0 -43.27 73.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 85.9 p -73.46 119.76 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -178.84 70.57 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.05 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.22 125.43 32.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt -43.72 158.23 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HG3' ' CG ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.05 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -121.73 155.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 t -82.23 163.76 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 p -87.15 -38.07 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.431 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 159.82 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.7 m -83.75 104.9 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.52 145.68 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 39' ' ' TYR . 4.7 ttpt -135.12 164.32 27.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -107.47 117.81 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.774 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -103.08 -26.09 13.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -134.02 156.61 47.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -41.78 114.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.539 HG11 ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -115.5 151.9 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.23 118.39 20.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.249 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -160.69 175.1 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -114.71 173.85 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -112.32 161.03 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.578 HD23 ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -154.16 119.41 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 28' ' ' ARG . 8.9 tt -82.76 144.61 9.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.147 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -68.68 -49.75 56.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -39.79 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.501 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.1 mm-40 -41.87 -46.74 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -52.3 -59.61 4.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -49.93 -53.48 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 128' ' ' GLN . 30.5 t80 -51.82 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -55.92 -31.82 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 130' ' ' ARG . . . -68.26 -49.17 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 128' ' ' GLN . 7.6 t -70.39 -54.78 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' SER . 13.1 mm100 -38.4 -67.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 6.6 m-85 -60.83 -46.01 92.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -66.75 94.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -96.62 130.71 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.0 t 64.52 112.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.54 -161.78 11.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 160.66 39.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.98 154.64 37.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 t -94.09 -58.66 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -157.62 124.34 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 p -50.77 -59.22 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.47 121.45 2.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.14 95.63 4.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.976 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.66 136.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -152.46 -140.58 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' CG1' ' CD2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -39.04 -43.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.22 -65.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -160.37 34.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -77.45 129.34 77.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.0 7.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD11 ' CD1' ' A' ' 81' ' ' PHE . 27.5 mt -41.11 -64.84 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.479 ' CD2' ' CG1' ' A' ' 8' ' ' VAL . 70.9 m-85 -79.55 55.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -52.95 6.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -72.35 -31.86 65.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.554 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -44.69 161.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 22' ' ' LEU . 37.9 t70 -109.77 157.18 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.49 -59.17 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -51.63 -33.67 34.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 125' ' ' VAL . 6.7 tp -72.11 -34.27 68.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 18' ' ' ASP . 4.6 mm? -64.7 -61.72 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -52.01 -44.39 64.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -54.83 -52.4 62.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.37 -21.89 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' SG ' HD12 ' A' ' 29' ' ' LEU . 51.1 t -74.14 -53.94 8.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 1.8 pt-20 -54.69 -25.93 30.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -70.7 -33.76 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD12 ' SG ' ' A' ' 26' ' ' CYS . 18.7 mt -40.3 116.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -94.11 140.15 22.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 18.2 Cg_endo -75.03 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 m -151.15 168.35 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.68 165.52 27.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.232 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 31.0 m-85 -127.26 112.44 15.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -81.4 -168.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -71.43 143.26 50.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 66.78 37.66 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 16.8 m -106.29 114.96 29.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.7 m-85 -91.7 107.28 19.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.76 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 m -129.25 157.58 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.404 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 4.0 mtp180 -134.63 171.21 14.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -99.98 108.06 20.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.28 -19.16 8.21 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 42' ' ' ARG . 19.7 p-10 -99.55 152.38 37.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.4 Cg_endo -74.91 170.63 19.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' PRO . 15.2 t -112.47 109.33 28.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.79 -44.97 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.7 151.14 46.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.576 ' HB2' HD23 ' A' ' 86' ' ' LEU . 6.4 ttt -98.54 145.68 26.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.6 mm? -113.19 124.73 53.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 81.6 m-85 -105.48 101.3 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.18 123.37 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.8 mm -100.92 -47.79 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.21 103.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.21 -166.6 38.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.589 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.41 157.96 43.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 112' ' ' VAL . 3.8 mp -159.39 171.21 20.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.849 ' CD ' HD21 ' A' ' 109' ' ' LEU . 9.3 pt-20 -124.63 120.95 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.3 t -96.31 128.97 43.71 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.64 147.24 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -119.94 156.32 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.5 p -120.93 -56.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.48 133.42 45.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.88 -136.26 3.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.45 -91.89 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.25 -50.52 2.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.789 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 m -69.56 145.14 52.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.75 106.55 3.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -144.03 159.7 42.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -120.12 106.16 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.67 96.29 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ttp85 -78.95 151.76 31.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 3.3 t -157.85 173.76 16.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' OG ' ' A' ' 74' ' ' SER . 6.0 tp -125.2 149.39 48.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 22.4 mt -112.63 114.65 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -174.67 3.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.75 120.62 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.41 -26.07 6.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.85 157.47 35.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.6 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -127.32 176.65 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.6 p -131.44 164.49 25.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.85 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.13 -12.06 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 0.798 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.46 -33.95 70.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.016 HD11 ' HB2' ' A' ' 119' ' ' ALA . 26.6 tp -54.67 -57.18 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 122' ' ' LEU . 1.7 tp -42.34 -51.58 4.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -66.17 -42.78 88.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.903 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t90 -49.28 -56.62 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.021 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.87 -58.63 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -53.83 -23.65 13.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -73.58 115.43 41.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.89 5.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -56.99 -40.52 76.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -54.87 161.95 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -147.8 -56.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.53 -51.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -41.75 107.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.12 157.19 78.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.8 p -120.77 133.94 55.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.657 HG23 ' NE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -108.42 -13.5 14.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.657 ' NE ' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -156.51 160.97 40.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m -99.84 113.29 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.7 t -107.57 152.14 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -147.08 150.1 34.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.01 111.92 23.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.849 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -94.49 -27.62 15.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 57' ' ' ARG . 1.2 t -133.17 164.0 28.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -45.51 119.83 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 58' ' ' LEU . 2.5 t -112.28 154.25 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.572 ' HG2' HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -141.01 106.46 5.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.34 175.17 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -111.31 166.39 11.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.87 160.86 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -146.07 122.47 10.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.3 tt -84.85 143.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.016 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -66.09 -49.86 66.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.15 -66.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -51.96 -38.15 55.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.965 HD11 HD12 ' A' ' 87' ' ' LEU . 1.2 tt -61.28 -69.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.5 ttpp -45.18 -48.08 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -51.1 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.675 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -57.43 -35.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -49.07 79.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -39.49 -51.36 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -46.57 22.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.48 85.41 7.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 99.75 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.7 p -45.78 159.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -67.22 129.1 28.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 69.48 5.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.06 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.0 p -167.16 133.96 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.108 . . . . 0.0 110.989 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -161.58 158.12 25.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.92 169.67 16.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.88 -108.45 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 45.9 74.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -172.11 126.21 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.09 -161.26 26.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t 63.97 73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -87.55 78.33 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.83 33.7 15.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.591 HG11 ' CD2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -69.41 126.24 92.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.58 5.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 81' ' ' PHE . 35.3 mt -40.65 -64.59 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CD2' HG11 ' A' ' 11' ' ' VAL . 14.6 m-85 -77.95 56.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -49.36 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -82.98 -32.67 26.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.892 ' HG2' HD23 ' A' ' 21' ' ' LEU . 2.6 mtm -51.61 145.75 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -105.13 158.03 16.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -45.31 -57.71 3.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.9 -34.23 8.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.892 HD23 ' HG2' ' A' ' 17' ' ' MET . 9.4 tp -76.5 -30.96 57.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' GLU . 3.9 mm? -65.24 -57.12 9.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -55.78 -50.38 70.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -50.5 -52.18 40.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.683 HG13 HG11 ' A' ' 125' ' ' VAL . 25.9 mt -64.72 -42.75 95.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 6.8 t -53.06 -51.39 61.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -25.64 15.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HD2' HG22 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -72.75 -39.98 66.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 117' ' ' LEU . 16.3 mt -43.49 114.94 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.65 154.69 37.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.45 163.48 38.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 108.323 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD11 ' HG2' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -142.65 165.18 28.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.576 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 34.8 m-85 -119.69 111.05 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -87.34 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -69.46 141.92 53.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 71.62 14.13 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -90.73 113.62 25.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 21.9 m-85 -94.7 124.93 39.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.0 -55.42 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 104' ' ' ARG . 17.9 m -134.34 150.57 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.48 165.15 22.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 123.67 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.58 -36.42 4.37 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -87.8 152.41 51.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.57 118.1 56.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -88.94 -41.33 12.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.77 153.86 46.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.862 ' HB2' HD23 ' A' ' 86' ' ' LEU . 16.1 ttt -106.02 140.45 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.3 mm? -110.74 130.58 55.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 8.1 m-85 -106.82 101.18 10.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.36 121.41 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 12.2 mm -97.85 -43.92 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -173.62 104.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.44 -159.24 24.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -142.49 157.06 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 110.323 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD11 HG11 ' A' ' 112' ' ' VAL . 2.5 mp -160.12 171.87 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.961 ' CD ' HD21 ' A' ' 109' ' ' LEU . 12.7 pt-20 -125.09 129.67 50.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -98.75 136.77 38.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.97 142.38 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 t -123.93 142.42 51.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.424 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.9 p -107.29 -37.62 6.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.43 65.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.34 -82.48 0.71 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 134.03 -157.7 22.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.46 -66.7 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.763 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.69 153.13 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.91 -135.18 4.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.03 140.34 40.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -101.78 117.37 34.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -96.05 96.38 8.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -84.45 149.18 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.5 t -157.12 173.61 16.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tp -130.37 154.19 47.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD22 ' OD2' ' A' ' 80' ' ' ASP . 4.4 mt -121.54 166.71 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -171.98 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 123.63 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.34 -41.71 1.64 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' HD22 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -68.99 143.17 54.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.65 165.08 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.58 159.95 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 41.02 47.99 4.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.77 -32.78 73.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -38.12 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.119 HD11 ' HB2' ' A' ' 119' ' ' ALA . 35.0 tp -53.85 -48.34 70.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 122' ' ' LEU . 7.1 tp -50.14 -46.5 53.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -72.51 -38.51 68.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.05 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 35.1 t90 -48.11 -58.35 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.651 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -60.14 -44.65 94.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -61.89 -14.56 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -106.61 109.81 63.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.57 7.01 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -58.41 -35.95 72.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -76.52 77.69 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.93 129.79 9.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.16 178.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 57.44 106.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.0 mt -64.5 157.79 70.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -75.04 176.09 10.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -121.28 143.72 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 163.64 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.6 p -92.78 -33.19 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.371 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -152.8 164.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 72.7 m -93.15 112.09 23.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 58' ' ' LEU . 28.1 t -111.49 143.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.697 ' O ' HD23 ' A' ' 58' ' ' LEU . 4.7 ttpt -132.0 164.21 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.3 112.07 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.961 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -99.25 -23.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 t -135.59 155.09 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -42.98 121.52 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.702 HG11 HD11 ' A' ' 58' ' ' LEU . 3.1 t -114.3 152.33 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 33' ' ' LEU . 24.0 mt-10 -132.53 106.38 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.576 ' HB3' ' HE2' ' A' ' 34' ' ' PHE . . . -160.36 174.89 13.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -112.56 173.88 6.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . . . -108.77 168.38 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -157.4 121.03 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 28' ' ' ARG . 7.2 tt -85.76 143.11 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.119 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -63.4 -48.62 77.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.9 -71.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.469 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.2 mm-40 -48.11 -33.99 9.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 87' ' ' LEU . 1.3 tt -65.69 -69.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . 3.3 ttpp -44.47 -43.99 8.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -54.47 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.834 ' O ' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -60.55 -25.8 35.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 91' ' ' LEU . . . -74.04 -38.6 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -65.99 -52.03 53.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 127' ' ' SER . 1.1 mm100 -37.89 -36.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.8 -56.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.87 91.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -79.25 -51.67 9.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.94 93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.18 -171.35 35.21 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.6 p -153.91 109.67 3.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.8 p -100.4 144.15 29.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.8 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.97 155.06 22.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.49 -161.82 9.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.76 175.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m 63.01 136.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.46 -69.25 0.54 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.0 m -102.05 65.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.56 100.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 41.83 45.04 3.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -80.53 127.29 76.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.11 9.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.845 HD11 ' CE2' ' A' ' 81' ' ' PHE . 7.1 mt -41.49 -64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -76.35 57.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -43.81 16.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -80.37 -27.82 38.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.764 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.29 157.46 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.2 m-20 -107.58 156.99 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -45.02 -56.64 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -51.29 -33.08 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD11 HG13 ' A' ' 125' ' ' VAL . 7.9 tp -77.47 -31.15 53.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 8' ' ' VAL . 4.1 mm? -65.64 -57.32 8.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.59 -49.49 74.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.25 -64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' O ' HD21 ' A' ' 117' ' ' LEU . 64.8 mt -53.16 -33.46 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.2 m -64.92 -60.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 108.262 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -32.92 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.65 -40.02 93.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 117' ' ' LEU . 16.9 mt -40.66 121.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.36 148.8 35.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.56 3.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.79 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.7 t -155.64 164.47 38.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.323 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.01 152.95 42.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.8 m-85 -102.63 119.34 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -95.23 -169.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.09 141.01 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? 69.07 30.22 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -105.47 114.17 28.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 14.5 m-85 -93.61 120.73 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.0 mp -78.52 -51.36 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 12.0 m -142.2 149.38 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 105' ' ' THR . 17.3 mtm180 -130.16 160.19 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 105.23 17.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.34 -29.88 5.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.77 156.75 61.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.366 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 173.46 14.47 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG12 HD22 ' A' ' 86' ' ' LEU . 38.3 t -117.88 103.1 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -77.84 -47.04 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.35 153.98 43.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.869 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -96.54 149.23 22.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.962 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.558 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.2 mm? -118.9 118.2 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.735 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 62.2 m-85 -95.12 108.12 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 53' ' ' ILE . 12.8 mm -63.36 120.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 8.1 mm -100.58 -48.44 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.68 131.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.01 -148.26 18.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.36 145.36 29.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 110.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.9 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -147.74 170.48 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.916 ' HB3' HD11 ' A' ' 109' ' ' LEU . 7.5 pt-20 -121.87 119.13 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB2' ' NE ' ' A' ' 104' ' ' ARG . 96.7 p -98.63 136.63 38.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.97 154.17 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 t -131.98 149.3 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.502 HG21 ' CE2' ' A' ' 71' ' ' TYR . 3.4 t -171.19 59.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.18 165.2 16.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.88 -62.42 4.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.15 -168.53 27.23 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 76.8 -66.64 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.28 150.29 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.66 142.89 3.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.19 124.48 17.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.502 ' CE2' HG21 ' A' ' 63' ' ' THR . 26.4 m-85 -83.47 118.4 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -82.86 107.89 15.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.64 138.5 31.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.7 m -144.97 173.17 12.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 tp -131.16 157.28 43.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 mt -124.47 170.82 10.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -127.42 -171.93 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.36 121.73 23.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.53 -25.52 6.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.43 139.56 37.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.845 ' CE2' HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -115.82 170.23 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.4 ' HB2' HG21 ' A' ' 41' ' ' VAL . 1.4 p -120.42 156.6 31.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 108.277 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 39.31 53.58 2.74 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.9 p-10 -67.39 -19.78 65.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.68 -38.51 33.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.3 tp -50.19 -46.57 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.82 HD13 ' CE ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -51.62 -50.06 60.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -68.07 -40.87 82.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.039 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 42.0 t90 -45.75 -56.95 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -55.77 -50.16 71.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -56.83 -25.92 57.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -90.59 114.04 59.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.47 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -53.21 -39.82 64.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.19 145.0 33.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.86 -177.27 42.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.65 -74.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.08 122.27 32.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.68 157.13 40.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 169.08 23.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -120.37 134.98 55.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -75.21 154.9 37.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.07 -11.28 14.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.416 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.568 ' HG2' HG23 ' A' ' 106' ' ' VAL . 3.7 ttm180 -116.91 147.07 42.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 22.3 m -115.33 103.95 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 104' ' ' ARG . 38.3 t -105.83 155.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -141.61 161.66 37.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.37 114.85 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.95 -23.86 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.4 t -136.38 165.86 24.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.437 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -54.14 114.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.9 HG11 HD11 ' A' ' 58' ' ' LEU . 13.7 t -107.0 144.19 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.86 108.38 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.735 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.7 174.91 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.95 163.88 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -105.41 165.07 11.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.604 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -151.87 119.39 6.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.538 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.6 tt -81.6 143.81 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -65.64 -49.4 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.52 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.6 mm-40 -47.16 -31.43 3.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 90' ' ' ALA . 1.5 tt -69.08 -69.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.2 ttpp -44.31 -47.59 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 55.9 t80 -49.92 -64.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.774 HG13 HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.14 -27.8 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -65.31 -58.14 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 128' ' ' GLN . 0.3 OUTLIER -68.83 -48.63 63.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.937 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 9.1 mm-40 -38.69 -46.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.42 -42.34 22.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.99 156.68 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -120.74 -52.55 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.0 p -178.35 117.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.44 128.37 1.8 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 179.79 5.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 27.9 t -151.27 144.64 24.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.2 t -152.65 -58.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.97 157.93 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 0.0 109.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -159.35 159.59 34.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.01 -147.22 4.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -124.09 106.04 10.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.63 158.78 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 -67.48 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.512 ' O ' HG22 ' A' ' 8' ' ' VAL . 6.5 p -78.38 56.68 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -30.92 70.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 172.12 68.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.38 159.25 82.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.09 21.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 81' ' ' PHE . 90.9 mt -62.26 -61.58 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -81.83 53.16 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -53.0 6.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -86.12 -17.11 35.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.839 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -52.96 153.13 3.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -109.94 151.51 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.83 -50.02 5.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 129' ' ' PHE . 32.1 mmt180 -55.21 -36.49 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD23 ' HG3' ' A' ' 17' ' ' MET . 7.3 tp -70.92 -35.27 72.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.46 -58.37 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -54.46 -53.81 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.77 -68.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.4 mt -48.85 -30.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.14 -59.17 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.305 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -45.76 -30.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CD ' ' HB3' ' A' ' 121' ' ' GLU . 9.5 mmp_? -66.22 -41.49 90.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' CYS . 16.9 mt -39.53 111.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.13 151.47 37.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.24 2.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 89.9 m -145.62 163.93 33.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.87 164.56 29.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 39.2 m-85 -124.9 110.06 13.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -76.86 -168.4 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -71.22 146.99 48.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 62.21 33.91 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.0 m -106.05 113.8 27.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -92.19 119.41 31.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp -78.41 -58.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.58 146.43 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.96 176.8 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.16 108.27 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.82 -22.12 10.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -91.07 152.43 44.17 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.06 165.74 30.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.38 105.11 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -78.78 -44.76 22.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.64 150.7 45.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.746 ' HB2' HD23 ' A' ' 86' ' ' LEU . 12.1 ttt -95.61 138.55 33.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mm? -106.72 131.48 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 44.8 m-85 -113.33 101.44 9.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.593 HD11 HD13 ' A' ' 58' ' ' LEU . 17.6 mm -53.98 120.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.1 mm -99.31 -50.14 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.04 99.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.74 -154.55 12.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.611 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -146.32 159.6 43.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.705 HD11 HG11 ' A' ' 112' ' ' VAL . 3.7 mp -160.55 170.06 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.882 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -118.12 116.58 27.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 5.1 p -105.89 145.64 30.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 2.4 t -145.46 140.51 22.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.3 t -115.82 153.36 31.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.593 HG22 ' CE2' ' A' ' 71' ' ' TYR . 53.7 p -116.39 -51.2 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.29 -55.87 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.19 -101.65 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.66 -56.12 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.33 136.36 19.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.1 t -40.77 121.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.85 -101.7 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.23 167.27 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CE2' HG22 ' A' ' 63' ' ' THR . 9.5 m-85 -103.69 162.39 13.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -125.88 99.91 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 6.6 mpt_? -71.91 140.75 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.3 t -144.14 174.05 11.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 tp -134.44 147.14 50.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.38 122.3 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -96.1 -172.17 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' N ' ' HE3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -66.55 126.84 30.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.43 -34.3 4.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -74.2 156.06 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.413 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -138.06 166.95 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.937 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 p -124.45 169.36 11.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 42.08 44.33 4.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' HA ' ' CE ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -69.68 -32.97 71.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -46.16 -32.93 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.025 HD11 ' HB2' ' A' ' 119' ' ' ALA . 31.0 tp -56.46 -50.64 71.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.068 HD12 HD11 ' A' ' 122' ' ' LEU . 1.8 tp -48.5 -48.47 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -39.06 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.081 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 43.4 t90 -52.26 -52.48 52.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' A' ' 123' ' ' LYS . . . -63.33 -48.44 77.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -52.47 -37.77 57.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.64 71.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -41.1 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -29.21 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.52 104.3 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.01 100.0 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p 177.88 -67.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.962 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -135.39 143.04 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.8 mt -50.53 156.56 1.49 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.2 Cg_endo -74.96 169.25 23.04 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -120.6 127.78 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 p -76.9 130.23 37.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 103' ' ' THR . 1.1 t -93.22 51.93 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 151.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' SER . 43.7 m -116.22 132.15 56.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.445 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.4 t -131.6 151.37 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -143.29 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.66 113.45 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -102.83 -22.31 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' GLU . 6.9 t -135.56 152.18 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' THR . 5.7 tt0 -38.31 116.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 58' ' ' LEU . 5.1 t -105.02 154.56 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.0 107.16 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.2 174.91 13.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -108.21 169.98 8.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.79 168.55 9.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -156.83 119.95 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.0 tt -83.9 143.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.081 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -51.28 62.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.519 ' HB2' HG23 ' A' ' 118' ' ' ILE . 6.7 mm-40 -48.35 -40.48 25.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 1.068 HD11 HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -58.3 -61.76 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 1.7 ttpp -50.31 -48.32 55.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.554 ' CZ ' ' HG3' ' A' ' 128' ' ' GLN . 58.0 t80 -51.66 -71.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.699 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -48.06 -29.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -70.74 -52.99 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -52.73 34.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.955 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 5.5 mm-40 -40.33 -45.18 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -76.54 -55.63 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 40.5 84.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -121.06 114.61 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.95 111.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -148.95 -177.63 23.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 26.2 p -160.52 131.12 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 74.96 -58.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.81 162.06 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -113.92 125.85 54.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 157.76 9.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -133.5 80.67 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -146.98 100.62 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.11 54.13 0.29 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 8' ' ' VAL . 14.4 p -161.45 103.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -79.32 56.16 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.75 49.07 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.05 159.3 83.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.24 6.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.663 HD11 ' CG ' ' A' ' 81' ' ' PHE . 65.1 mt -43.56 -63.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CE1' HD11 ' A' ' 87' ' ' LEU . 29.4 m-85 -83.01 53.23 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 -52.61 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -78.51 -16.8 57.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.795 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.35 146.79 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.51 157.54 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -45.53 -54.56 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HB2' ' CE1' ' A' ' 129' ' ' PHE . 6.7 mmt180 -54.17 -30.5 49.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD23 ' HG3' ' A' ' 17' ' ' MET . 3.3 tp -74.03 -35.82 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.19 -47.95 83.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.38 -53.22 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -51.14 -58.83 5.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.64 -28.48 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.21 -62.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.44 -25.14 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -70.52 -35.35 73.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 115' ' ' PHE . 18.6 mt -40.69 115.52 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.78 153.07 37.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.16 155.75 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.38 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 17.1 m-85 -119.17 123.54 44.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.7 -175.69 2.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -56.82 135.28 55.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt 71.04 35.03 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.685 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 12.6 m -99.51 114.45 27.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 107' ' ' LYS . 13.2 m-85 -98.13 109.74 22.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 3.7 mp -75.58 -46.68 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 104' ' ' ARG . 4.1 m -136.96 142.99 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.83 139.61 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.64 120.83 20.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.77 -41.25 1.9 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.145 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 45' ' ' ASP . 24.9 p30 -92.4 150.7 40.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.23 25.3 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.66 119.31 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -89.31 -41.77 11.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.28 156.79 44.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.502 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -101.41 143.73 31.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' CB ' ' A' ' 116' ' ' ALA . 2.0 mm? -113.58 119.13 36.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.911 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 41.9 m-85 -97.15 114.9 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 mm -67.68 127.2 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 6.2 mm -105.72 -50.52 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.58 110.85 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.249 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' HA3' HG13 ' A' ' 112' ' ' VAL . . . 165.6 -159.53 32.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.45 160.91 40.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.751 HD11 HG11 ' A' ' 112' ' ' VAL . 2.4 mp -157.92 171.6 19.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.7 pt-20 -120.5 118.34 29.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 t -95.28 136.51 35.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.435 HG22 ' CG ' ' A' ' 73' ' ' ARG . 2.5 t -143.74 150.6 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -155.03 141.05 18.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.7 p -102.54 -41.64 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.64 177.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.33 176.95 19.11 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 -82.45 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -161.14 95.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 m 58.81 172.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.57 157.4 7.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.525 ' CE1' ' OD1' ' A' ' 72' ' ' ASN . 39.9 p90 -101.48 166.33 10.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.786 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -74.94 113.18 11.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.525 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 12.6 m-20 -84.85 107.65 17.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 61' ' ' VAL . 4.5 mtm180 -90.46 144.47 25.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 51.6 m -154.89 171.56 19.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 58' ' ' LEU . 8.3 tp -125.87 155.4 41.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -110.83 164.92 12.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -100.93 -176.97 3.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -76.87 123.97 27.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 13.14 45.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -70.69 171.24 10.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -147.08 154.09 40.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.584 ' SG ' HG21 ' A' ' 106' ' ' VAL . 97.8 m -123.36 166.97 14.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 108.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' CYS . . . 37.38 51.05 1.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -12.98 56.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -59.22 -15.51 15.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 119' ' ' ALA . 19.2 tp -70.61 -53.88 14.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -47.69 -63.02 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -53.2 -47.57 68.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.817 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 33.7 t90 -45.37 -52.8 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 108.028 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.497 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -57.79 -55.45 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.93 -32.66 33.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.9 OUTLIER -79.07 114.34 43.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -25.44 11.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -71.1 -38.99 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.4 p 57.51 165.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.15 53.16 0.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.54 -64.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.967 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -123.26 -159.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.73 158.53 86.85 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -117.46 125.92 51.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -60.71 151.48 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 t -115.12 13.57 16.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.53 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -157.71 152.41 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.8 m -110.42 149.79 29.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.584 HG21 ' SG ' ' A' ' 82' ' ' CYS . 55.7 t -142.74 160.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 2.7 ttpt -151.86 147.47 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.12 116.39 28.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.849 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -96.28 -19.99 18.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 112' ' ' VAL . 0.3 OUTLIER -141.61 173.37 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 110' ' ' THR . 0.9 OUTLIER -60.49 119.42 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.751 HG11 HD11 ' A' ' 58' ' ' LEU . 2.4 t -122.27 128.14 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.16 115.71 30.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.911 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.8 174.84 13.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 72.3 m-85 -109.74 167.35 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.48 ' CB ' ' CD1' ' A' ' 51' ' ' LEU . . . -116.1 152.54 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -132.21 119.87 21.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.435 ' CG2' ' HG3' ' A' ' 121' ' ' GLU . 7.3 tt -82.76 142.84 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.855 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -58.69 -52.94 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -68.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 118' ' ' ILE . 3.7 mm-40 -51.8 -38.1 54.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -62.03 -69.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.497 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.4 ttpp -47.61 -43.13 25.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -53.85 -64.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.459 HG21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -59.13 -36.64 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.49 -65.81 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.2 t -51.03 -50.66 58.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.036 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -40.42 -44.83 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -85.71 -55.31 4.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.03 124.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -169.76 88.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.6 t -169.4 -62.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 156.22 154.3 6.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 80.59 2.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.759 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.3 t 61.51 146.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -80.97 -58.95 2.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -54.16 142.22 26.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.0 117.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 171.61 52.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -40.19 120.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.76 101.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.98 65.18 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.63 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 7.2 p -128.28 -51.93 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' HG13 ' A' ' 8' ' ' VAL . 43.3 ttt180 -56.65 89.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.72 158.77 84.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HA ' ' HG3' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.02 -31.78 5.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' PHE . 44.1 mt -44.92 -64.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.63 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 15.2 m-85 -79.76 60.36 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' HG3' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -92.56 -53.82 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -86.28 -29.76 22.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.768 ' CG ' HD23 ' A' ' 21' ' ' LEU . 2.6 ttm -51.56 143.92 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -106.58 154.97 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' LEU . 2.1 mt-10 -44.01 -60.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -46.51 -33.89 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.768 HD23 ' CG ' ' A' ' 17' ' ' MET . 13.4 tp -75.8 -33.64 60.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 19' ' ' GLU . 4.1 mm? -64.25 -54.28 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -54.26 -53.29 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.39 45.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 62.6 mt -59.97 -34.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.514 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 48.4 m -68.66 -50.64 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.237 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -21.97 1.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -79.48 -36.03 39.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 117' ' ' LEU . 19.7 mt -39.81 127.31 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.3 152.21 43.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 108.06 2.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.46 161.41 41.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 108.259 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 112' ' ' VAL . 1.5 tp -143.01 152.54 42.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 28.3 m-85 -107.01 114.61 28.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -89.5 -171.06 3.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.46 139.43 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 68.43 39.19 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.8 m -110.2 118.34 36.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.91 116.09 28.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.74 -56.41 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG11 ' CA ' ' A' ' 83' ' ' GLY . 29.8 m -135.86 159.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -135.72 129.83 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.53 123.56 19.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.53 -36.66 3.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -73.51 158.74 86.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.02 165.06 32.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 86' ' ' LEU . 47.8 t -119.4 112.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -82.82 -44.9 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.3 150.58 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.917 ' HB2' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -96.31 150.17 20.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.8 mm? -117.9 124.34 48.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE1' ' SD ' ' A' ' 50' ' ' MET . 13.9 m-85 -101.87 102.04 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.87 117.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.8 mm -95.37 -48.3 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -165.6 128.7 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.18 -153.02 24.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -147.13 154.78 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.1 mp -152.81 171.03 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB3' HD11 ' A' ' 109' ' ' LEU . 8.6 pt-20 -122.7 128.04 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -101.18 137.07 40.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 t -145.25 157.2 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -142.31 160.48 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.455 HG21 ' CE2' ' A' ' 71' ' ' TYR . 1.2 t -179.64 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.98 149.34 23.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 141.63 -146.14 17.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.32 45.89 3.17 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 175.35 147.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -129.89 126.99 39.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.03 -163.52 32.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -51.36 152.98 2.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 0.759 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 63' ' ' THR . 6.6 m-85 -85.04 115.4 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -80.82 94.44 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.21 145.71 39.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -155.41 171.39 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 58' ' ' LEU . 12.7 tp -131.18 156.98 44.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 9.9 mt -123.18 164.38 18.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -136.35 -179.04 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.25 121.07 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.53 -40.58 1.77 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.63 145.49 53.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.587 ' CD1' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -118.2 175.07 5.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 111.031 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 91.7 m -131.2 169.68 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.472 ' CA ' HG11 ' A' ' 41' ' ' VAL . . . 38.74 31.73 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.483 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -59.14 -40.59 85.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -44.02 -27.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.971 HD11 ' HB2' ' A' ' 119' ' ' ALA . 51.6 tp -64.79 -44.52 89.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD11 ' HZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -51.46 -55.6 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.8 OUTLIER -59.96 -46.79 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.008 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 31.7 t90 -41.56 -59.18 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 107.995 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -52.25 -56.69 13.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 91' ' ' LEU . 1.1 mm? -52.0 -27.66 14.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -88.42 113.59 55.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.2 4.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -53.69 -42.75 68.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 89' ' ' TRP . 7.2 m -53.74 -59.56 4.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.983 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.49 -94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.39 177.11 8.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 62.25 113.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.89 157.7 85.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -75.01 174.92 11.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -121.55 145.56 47.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -73.06 159.2 33.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.86 -17.68 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.31 158.68 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.7 m -101.52 106.21 17.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.2 t -98.87 145.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.15 156.83 48.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.95 117.01 33.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -101.13 -26.52 13.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -136.26 161.73 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.94 111.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 110' ' ' THR . 24.7 t -102.43 141.1 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.07 107.2 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -159.59 175.29 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -113.74 171.52 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -109.48 160.14 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -148.94 119.75 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 121' ' ' GLU . 8.7 tt -82.36 145.01 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.008 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -64.87 -52.39 56.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -39.7 -71.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 5.4 mm-40 -46.96 -37.09 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.6 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.487 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 4.4 ttpp -48.67 -42.15 33.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -52.14 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.689 HG13 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.45 -28.24 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -68.08 -57.34 6.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 p -61.62 -55.93 25.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.963 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -37.92 -61.73 0.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.539 ' CD1' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -44.71 -49.01 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -65.06 98.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -146.42 -56.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.4 p -105.8 88.12 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 56.47 179.96 0.51 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.43 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 81.36 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.02 80.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 125.69 26.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.36 166.53 30.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 105.54 0.21 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -79.92 -51.58 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.95 146.71 47.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.48 -161.73 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG22 ' HA2' ' A' ' 79' ' ' GLY . 25.0 t 70.19 -60.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -84.44 45.84 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.25 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.258 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.527 HG23 ' H ' ' A' ' 14' ' ' PHE . 17.4 m -96.0 158.94 33.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.32 17.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.823 ' HB3' HD23 ' A' ' 87' ' ' LEU . 21.5 mt -65.37 -63.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' H ' HG23 ' A' ' 11' ' ' VAL . 12.9 m-85 -80.61 57.22 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.07 -53.15 5.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -105.67 14.91 27.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.639 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -60.88 141.38 57.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' LEU . 38.1 t70 -109.72 141.95 41.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.93 -61.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.18 -34.48 14.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.972 HD21 ' CE1' ' A' ' 129' ' ' PHE . 8.3 tp -73.0 -37.6 66.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 17' ' ' MET . 4.1 mm? -56.94 -55.91 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.56 -50.17 74.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.34 -60.81 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 77.1 mt -56.52 -30.33 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -68.49 -48.03 65.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 108.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.81 -19.16 49.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.75 -36.02 57.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 117' ' ' LEU . 13.8 mt -47.32 127.6 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.56 156.39 42.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.1 m -150.23 159.74 44.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tt -142.45 155.34 45.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 52.1 m-85 -108.91 110.33 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -84.43 -171.08 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt 69.95 39.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 15.7 m -111.43 114.34 27.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 3.6 m-85 -99.26 105.38 17.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.9 mp -54.45 -65.68 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.32 139.83 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.25 133.28 51.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.76 123.27 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.98 -34.45 4.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -95.71 157.11 36.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.01 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.34 110.62 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.82 -44.26 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.99 152.32 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.893 ' HB2' HD23 ' A' ' 86' ' ' LEU . 7.1 ttt -96.8 148.66 22.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.588 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 1.5 mm? -115.13 127.97 55.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 33.1 m-85 -110.25 103.44 12.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.1 mm -59.16 122.48 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 114' ' ' ALA . 13.9 mm -100.74 -49.41 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.36 126.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.586 ' HA3' HG12 ' A' ' 112' ' ' VAL . . . 152.04 -160.24 28.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.39 156.67 46.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 112' ' ' VAL . 2.1 mp -159.38 171.48 19.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.856 ' CD ' HD21 ' A' ' 109' ' ' LEU . 8.6 pt-20 -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 76' ' ' LEU . 45.2 t -100.73 136.53 40.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.33 150.7 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.0 t -138.43 137.85 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.464 HG22 ' CE2' ' A' ' 71' ' ' TYR . 46.6 p -93.54 -57.16 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 49.36 94.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.09 127.89 9.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.73 47.76 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.43 -58.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -141.11 165.49 27.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -119.65 70.37 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -149.4 132.49 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' CE2' HG22 ' A' ' 63' ' ' THR . 10.5 m-85 -86.24 112.92 21.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -88.93 101.18 13.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -78.23 139.64 38.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.8 m -143.7 172.29 13.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tp -123.68 152.31 42.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 60' ' ' SER . 14.3 mt -117.6 162.77 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -131.78 -177.11 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.9 120.63 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.469 ' HA2' HG22 ' A' ' 8' ' ' VAL . . . 125.44 -33.89 3.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.1 137.49 51.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.1 p90 -119.1 155.25 31.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 64.0 m -113.95 172.25 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.289 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 37.41 34.71 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -25.8 64.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -57.05 -20.63 25.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.996 HD11 ' HB2' ' A' ' 119' ' ' ALA . 43.8 tp -74.79 -41.35 60.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.823 HD23 ' HB3' ' A' ' 13' ' ' LEU . 8.4 tp -56.62 -50.48 71.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.01 -37.77 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.747 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 27.8 t90 -42.03 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 107.947 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 123' ' ' LYS . . . -47.61 -49.53 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD11 ' CE2' ' A' ' 129' ' ' PHE . 0.8 OUTLIER -52.23 -37.74 56.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.92 114.7 46.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.84 2.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -53.69 -38.87 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 m -48.94 159.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . 155.26 -159.11 28.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 96' ' ' GLY . 0.9 OUTLIER -141.51 149.08 40.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mt -47.12 157.15 0.52 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.571 ' HG3' ' CD1' ' A' ' 89' ' ' TRP . 18.4 Cg_endo -74.97 -179.73 5.27 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -120.43 123.19 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -79.92 127.63 32.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 103' ' ' THR . 0.8 OUTLIER -90.59 21.18 4.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 158.55 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 93.7 m -144.31 98.55 3.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 107' ' ' LYS . 99.0 t -119.84 164.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -155.46 150.29 26.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -91.48 110.57 21.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.856 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -97.06 -23.55 16.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.3 t -139.09 155.54 47.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.92 129.77 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -132.83 164.24 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.85 115.32 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.57 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.38 174.41 14.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.96 173.46 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.09 153.92 29.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.592 HD23 HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -137.63 119.59 15.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.9 tt -83.98 143.8 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.996 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -67.06 -47.17 72.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -70.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 118' ' ' ILE . 7.2 mm-40 -47.87 -28.67 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -65.57 -68.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 0.0 OUTLIER -40.44 -47.5 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -50.13 -58.77 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.871 HG22 HD12 ' A' ' 21' ' ' LEU . 1.4 p -68.35 -28.61 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 123' ' ' LYS . . . -49.89 -36.53 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.73 -23.33 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 125' ' ' VAL . 5.7 mm-40 -76.44 -10.98 59.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.972 ' CE1' HD21 ' A' ' 21' ' ' LEU . 3.6 m-85 -44.62 -49.51 10.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -46.13 157.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.42 149.93 21.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.2 m -130.0 141.31 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 104.13 -174.23 22.09 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 168.38 24.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 46.2 t -111.02 -57.9 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -57.75 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.08 -58.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.48 -68.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -54.75 100.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -154.29 101.76 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.75 174.4 28.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.6 t 60.46 64.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 0.71 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.13 87.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.34 42.85 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 13' ' ' LEU . 1.5 t -78.36 140.73 60.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' VAL . 18.4 Cg_endo -74.91 -34.06 4.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 81' ' ' PHE . 22.7 mt -41.43 -64.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 57.8 m-85 -80.28 60.09 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.97 -50.92 8.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -77.03 -36.03 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.57 ' SD ' HD23 ' A' ' 21' ' ' LEU . 1.8 mmt -37.44 149.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' LEU . 29.5 t0 -109.74 154.29 23.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -41.03 -58.9 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -51.15 -35.62 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.658 HD11 HG13 ' A' ' 125' ' ' VAL . 13.8 tp -70.57 -37.28 73.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.68 -51.3 70.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -63.38 -47.87 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.632 ' HB1' HG21 ' A' ' 125' ' ' VAL . . . -49.19 -52.04 29.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 28.0 mt -67.45 -24.28 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 29' ' ' LEU . 9.4 t -72.94 -57.54 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 28' ' ' ARG . 3.2 pt-20 -52.04 -27.24 13.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -68.04 -33.48 74.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.283 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 ' HB2' ' A' ' 115' ' ' PHE . 18.3 mt -41.09 120.53 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -104.77 153.36 39.34 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' SG ' ' C ' ' A' ' 31' ' ' PRO . 13.2 m -150.8 154.01 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 108.248 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.3 154.22 44.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' CZ ' ' HG ' ' A' ' 51' ' ' LEU . 20.0 m-85 -112.18 132.5 54.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -105.6 -168.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.15 139.68 58.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt 71.01 35.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HB3' ' A' ' 108' ' ' ALA . 66.6 m -104.44 115.23 30.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CE1' ' HG3' ' A' ' 107' ' ' LYS . 2.9 m-85 -99.35 106.91 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.8 m -133.57 151.78 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -132.27 171.43 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 103.33 15.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.19 -35.78 3.39 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.566 1.166 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 p-10 -77.46 148.82 77.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 100' ' ' PRO . 18.3 Cg_endo -75.02 173.0 15.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 100' ' ' PRO . 16.7 t -117.74 115.5 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -89.21 -41.01 12.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.15 152.09 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.718 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.9 ttt -96.87 147.51 23.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CZ ' ' A' ' 34' ' ' PHE . 2.3 mm? -118.15 117.9 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HB1' ' A' ' 114' ' ' ALA . 77.5 m-85 -96.11 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 53' ' ' ILE . 5.0 mm -56.2 117.99 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.1 mm -97.37 -52.54 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.47 96.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -171.18 -159.62 17.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.147 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -144.84 156.67 44.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 57' ' ' ARG . 3.2 mp -162.54 171.71 16.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.951 ' CD ' HD21 ' A' ' 109' ' ' LEU . 10.7 pt-20 -128.87 126.9 40.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.3 t -101.43 138.34 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.12 152.08 25.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.4 t -122.4 151.79 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.5 p -124.88 -51.28 1.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 110.424 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.68 162.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.65 -159.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.92 38.4 5.48 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.18 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.5 m 65.0 99.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.33 79.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 53.24 171.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.0 137.76 49.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -94.49 96.84 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.44 147.44 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.4 m -155.24 171.59 19.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.75 154.4 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.58 159.05 24.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -130.72 -168.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -69.73 121.65 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.34 -30.38 4.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.93 140.54 40.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 13' ' ' LEU . 1.1 p90 -119.2 153.06 35.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 65.6 m -110.21 161.41 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' SD ' ' A' ' 50' ' ' MET . . . 37.54 59.95 1.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -32.93 57.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -42.95 -28.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' ' 119' ' ' ALA . 23.7 tp -59.31 -52.78 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -45.65 -60.48 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' ASP . 0.7 OUTLIER -57.96 -46.65 84.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 1.096 ' CZ3' ' HB1' ' A' ' 119' ' ' ALA . 47.6 t90 -44.96 -59.18 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.488 ' HA ' ' CD ' ' A' ' 123' ' ' LYS . . . -58.05 -41.85 84.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.435 ' O ' ' NH1' ' A' ' 130' ' ' ARG . 0.4 OUTLIER -67.22 -10.45 50.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -113.3 107.71 53.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.55 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -58.58 -37.97 76.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.22 78.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 -59.3 1.0 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.8 t -65.51 150.84 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 67.37 110.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.2 157.87 67.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.99 160.58 40.02 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 p -117.34 127.25 53.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 144.03 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 p -101.09 23.31 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.65 151.28 14.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.578 ' O ' HG23 ' A' ' 106' ' ' VAL . 17.9 m -106.67 155.86 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 105' ' ' THR . 40.8 t -157.27 145.8 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -139.57 150.47 45.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 38' ' ' SER . . . -88.61 114.57 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.951 HD21 ' CD ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -98.86 -24.68 14.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 112' ' ' VAL . 2.9 t -136.52 164.55 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.46 117.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.61 HG11 HD11 ' A' ' 58' ' ' LEU . 7.4 t -109.33 145.71 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.24 107.67 8.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB1' ' O ' ' A' ' 52' ' ' PHE . . . -160.44 175.03 13.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.45 ' HB2' HD22 ' A' ' 29' ' ' LEU . 81.7 m-85 -107.98 170.15 8.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.436 ' HA ' HD13 ' A' ' 51' ' ' LEU . . . -114.55 153.08 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -138.62 119.68 14.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 121' ' ' GLU . 7.1 tt -83.69 141.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 1.096 ' HB1' ' CZ3' ' A' ' 89' ' ' TRP . . . -61.92 -45.97 91.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.83 -69.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' HB2' HG23 ' A' ' 118' ' ' ILE . 4.8 mm-40 -49.97 -38.62 37.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -61.47 -69.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 90' ' ' ALA . 2.2 ttpp -45.39 -47.19 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 128' ' ' GLN . 45.0 t80 -50.97 -60.93 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.658 HG13 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -65.23 -25.96 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' A' ' 123' ' ' LYS . . . -68.93 -45.15 71.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 128' ' ' GLN . 2.9 m -82.58 -54.56 5.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.463 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 36.6 mm-40 -37.26 -55.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.641 ' CD2' HD13 ' A' ' 21' ' ' LEU . 5.0 m-85 -61.84 -55.76 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.435 ' NH1' ' O ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -38.73 152.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 66.62 129.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.8 t 70.05 84.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.51 -157.96 10.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.3 p -175.01 133.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.9 m 63.4 131.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.986 . . . . . . . . 0 0 . 1 stop_ save_