data_1tm9_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 1tm9 _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 ' 6' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' LYS . 44.4 mm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' ILE . 5.3 tptt -37.19 -55.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.23 -50.75 70.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.7 mt-30 -46.76 -39.72 12.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.5 mt -67.93 -58.3 4.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.3 mp -47.59 -63.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -37.24 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 22.7 m-30 -40.67 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -44.22 -52.72 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.71 -30.61 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -90.44 31.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.54 -72.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.48 -164.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.95 -89.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -79.73 -168.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' N ' ' A' ' 23' ' ' GLU . 72.8 m-70 -90.05 -58.07 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.579 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' GLU . 20.5 mt-30 -41.51 -27.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER -37.1 -51.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' PHE . 72.0 mtt85 -45.88 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.4 mt -50.54 -22.64 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.5 OUTLIER -83.4 -34.65 25.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ILE . 9.8 m-30 -65.17 -61.16 2.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.0 pt -32.72 -40.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' SER . 8.7 t -90.96 -71.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.513 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 20.8 t -35.1 -48.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 23.6 m -53.78 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.11 46.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -171.26 38.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -116.43 -107.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -171.1 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -104.03 -18.98 14.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 21.2 m-85 62.75 11.83 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -122.78 -1.55 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -104.73 -0.03 27.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 49.3 t -43.54 165.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 11.6 t0 -69.54 64.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 9.8 p -168.92 140.45 2.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.06 -21.75 36.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -51.85 -57.98 12.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.06 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 50' ' ' ILE . 11.8 mm -50.51 -34.17 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -27.87 66.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' PRO . 13.2 m120 -77.22 -37.77 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 47' ' ' ILE . 1.2 pt -83.59 0.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG23 ' CZ ' ' A' ' 109' ' ' PHE . 13.0 mt -101.72 -33.83 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 3.7 mt-10 -88.05 42.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -115.51 -35.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 63' ' ' ILE . 3.0 p -96.53 23.86 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -92.92 30.89 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.7 m-20 -138.37 146.65 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.4 mt-10 -52.13 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' GLU . 36.5 m-20 -37.08 -37.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 13.0 mm-40 -59.53 -62.25 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -46.39 -45.05 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 3.2 mt -63.89 -71.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.38 -30.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 54' ' ' THR . 62.1 mt -73.7 -49.38 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -43.87 -63.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.372 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -42.2 79.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -46.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.42 96.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' C ' ' N ' ' A' ' 70' ' ' ASN . 46.7 t -62.94 -40.87 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -43.55 -27.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.0 t-20 -91.37 -45.93 8.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -58.05 -50.96 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.72 -25.67 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -90.12 -32.4 16.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.66 -9.3 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 41.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.065 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -169.56 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.606 ' CZ ' ' CD1' ' A' ' 133' ' ' TYR . 15.2 m-30 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.452 0.167 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 31.7 mmt -76.82 -24.27 52.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -55.64 -45.71 77.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -48.05 -25.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 26.2 t80 -90.09 48.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 97.7 m-85 -163.5 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -50.97 -33.37 24.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.9 p -68.52 -68.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 73.0 m-80 -97.64 110.57 23.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.86 -43.17 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 1.8 mt-10 -39.28 -55.11 3.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.96 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.83 -23.53 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 4.1 mt -77.5 -69.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 96' ' ' ILE . 1.4 mp -40.55 -42.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' ASN . 18.6 m-85 -64.0 -54.76 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.24 -42.85 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.33 -47.19 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' PHE . 13.4 mm -54.31 -61.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 45.3 m-85 -43.64 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -35.52 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -42.49 -61.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 9.7 m-85 -53.88 -39.96 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 72.3 m-70 -60.34 -26.24 66.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 17.9 m-30 -107.65 12.14 27.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.75 64.91 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -116.84 -54.67 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.3 mt -58.83 154.16 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.52 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.52 ' N ' ' CG2' ' A' ' 118' ' ' ILE . 12.3 mm -62.24 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 121' ' ' LYS . 2.7 pttt -41.23 -29.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 119' ' ' ILE . 20.9 tptt -71.53 -57.32 4.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -62.36 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.4 m-85 -40.7 -40.03 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.24 67.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -57.14 -27.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 128' ' ' ASP . 4.1 mt -94.6 -58.08 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . . . -44.02 -27.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.2 t70 -90.17 -62.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -47.38 -43.42 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 85' ' ' ALA . 1.5 tt -59.77 -32.96 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -77.31 -0.34 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -86.38 -21.25 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.606 ' CD1' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -102.34 -23.57 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.38 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 1.7 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.492 ' CE ' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.89 -34.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.48 -52.11 59.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -52.79 -23.16 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 9' ' ' GLN . 5.2 mt -75.67 -49.02 19.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.1 mp -53.24 -64.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -42.46 -56.8 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 9' ' ' GLN . 6.4 m-30 -48.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 100' ' ' VAL . 28.1 t80 -43.8 -41.08 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 24.1 t30 -53.44 -36.03 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' PHE . 3.6 mt-30 -77.18 0.65 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -98.95 -73.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -59.83 -158.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.04 -84.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -96.65 -166.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.476 ' CD2' ' CZ ' ' A' ' 88' ' ' PHE . 5.6 m80 -79.61 -56.8 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -39.3 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 4.1 mm-40 -45.12 -43.14 9.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 19.2 mtt85 -53.08 -49.54 66.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.7 mt -71.44 -17.6 62.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -90.62 -9.19 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 8.8 m-30 -90.22 -57.69 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -41.04 -29.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' PHE . 21.1 p -90.24 -45.46 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' PHE . 31.9 t -56.64 -42.66 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -62.08 -27.23 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' A' ' 128' ' ' ASP . 0.0 OUTLIER -118.41 44.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -170.89 31.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 p -128.81 -107.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -171.03 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 13.4 t -122.78 -143.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -108.33 -37.67 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 28.1 t -72.08 -4.82 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -89.31 -36.33 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -52.47 156.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.06 -63.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -39.27 135.47 1.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.0 Cg_endo -75.06 147.59 33.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 47.4 mt -82.06 -23.94 35.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.5 mt-10 -49.3 -57.63 11.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 26.4 mm -52.23 -36.09 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.8 mttp -64.61 -12.4 45.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -90.25 -35.8 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 53' ' ' ILE . 7.2 pt -82.77 -34.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 50.0 mt -53.85 -30.54 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.24 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -111.14 -29.51 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.7 p -102.87 23.94 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -69.19 -59.4 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.91 144.92 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 61' ' ' ILE . 2.6 pm0 -68.7 -29.18 67.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.411 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 2.1 m-20 -72.66 -27.41 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.0 -34.97 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 15.8 mt -68.51 -65.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -51.75 -31.43 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CG2' HD21 ' A' ' 110' ' ' LEU . 8.8 mt -65.52 -56.21 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -41.08 -54.57 2.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 64' ' ' THR . 4.3 mttt -63.82 -48.17 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.1 mt -49.32 -47.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.99 73.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 119' ' ' ILE . 16.0 t -66.68 -49.75 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 38.4 t30 -39.16 -45.19 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' THR . 41.8 t30 -80.81 -57.42 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -42.25 -57.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -38.55 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ASN . 20.0 m -71.29 -33.78 70.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ILE . 4.7 mt -60.45 -15.32 25.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.9 48.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.54 -61.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG11 ' CD1' ' A' ' 87' ' ' PHE . 3.4 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ALA . 64.4 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.481 0.181 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 9.3 mmt 67.67 -63.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 130' ' ' ILE . . . -45.04 -46.72 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -42.88 -49.9 5.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CD1' HG11 ' A' ' 77' ' ' VAL . 2.8 t80 -36.54 -38.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 8.0 t80 -40.75 -53.87 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -40.54 -38.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 p -94.43 -50.94 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -114.19 76.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 86.6 p -89.5 -47.41 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.6 mt-10 -40.6 -50.72 6.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.04 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.26 -27.54 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.466 HG12 ' CZ ' ' A' ' 24' ' ' ARG . 2.3 mt -73.72 -56.92 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.46 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.1 mp -52.95 -38.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.77 ' CD1' ' CD1' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -57.73 -57.16 13.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 103' ' ' PHE . 6.8 t -47.01 -47.39 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 108.341 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -66.22 -43.33 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.471 HG21 ' CE2' ' A' ' 123' ' ' TYR . 3.4 mm -58.57 -71.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' OH ' ' CE1' ' A' ' 106' ' ' HIS . 14.0 t80 -47.27 -51.39 19.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.795 ' CE2' ' CZ ' ' A' ' 107' ' ' PHE . 9.7 t80 -45.79 -41.35 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.35 -48.18 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 11.4 m-85 -60.1 -37.78 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.574 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -70.98 -39.21 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.795 ' CZ ' ' CE2' ' A' ' 103' ' ' PHE . 3.9 m-85 -77.11 -22.28 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 109' ' ' PHE . . . 89.66 90.8 1.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 28.2 m-85 -159.55 -63.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.547 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.4 mt -51.14 146.71 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG1' ' N ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.648 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 4.6 mm -63.83 -67.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -39.54 -55.35 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -45.97 -45.87 15.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 119' ' ' ILE . . . -61.97 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 98' ' ' PHE . 9.6 m-85 -45.85 -32.71 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.5 -33.97 62.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.8 t -64.63 -25.74 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 2.0 mt -95.89 -54.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.64 -25.05 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 32' ' ' ARG . 48.1 t0 -90.47 -60.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 132' ' ' ASP . 15.8 t30 -50.04 -48.13 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.471 ' CD1' ' HB1' ' A' ' 85' ' ' ALA . 8.4 tt -55.28 -19.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -86.39 10.97 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 129' ' ' ASN . 59.4 t0 -87.83 -44.58 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.3 OUTLIER -87.1 -30.91 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.6 mt -45.78 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -54.64 -50.18 68.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.35 -42.35 91.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.0 mt-30 -51.7 -38.92 57.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.7 mt -64.71 -56.8 11.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -40.03 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -36.76 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 12.7 m-85 -39.32 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -43.1 -43.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -38.25 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.5 mt-30 -74.3 -1.87 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . . . -111.47 -88.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' SG ' ' CE2' ' A' ' 27' ' ' PHE . 6.6 t -112.83 92.16 3.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -92.96 -56.41 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' SER . 3.0 p -37.17 155.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' ARG . 55.2 m80 -93.1 -58.67 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -40.2 -51.21 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.02 -41.48 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -52.26 -45.64 65.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 8.1 mt -64.39 -29.96 71.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -15.9 44.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.458 ' C ' ' N ' ' A' ' 29' ' ' CYS . 3.3 m-85 -82.89 -60.68 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' N ' ' C ' ' A' ' 27' ' ' PHE . 7.4 t -90.61 -57.95 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 4.2 m -50.39 -57.77 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 29.0 m -51.34 -19.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 31.85 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -170.02 32.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -103.9 -100.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -170.31 -54.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 13.9 t -115.88 -20.39 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CG ' ' C ' ' A' ' 36' ' ' THR . 1.6 m-85 77.28 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.89 -3.63 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.951 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -132.76 44.77 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 37' ' ' PHE . 58.9 t -80.25 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 3.8 t70 -114.64 -35.7 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.487 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 7.9 p -67.49 141.27 95.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 142.95 28.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 38' ' ' SER . 61.9 mt -81.49 -25.51 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mt-10 -48.42 -58.69 7.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 43' ' ' PRO . 18.3 mm -51.85 -37.18 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.85 -16.63 51.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -35.21 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 3.1 pt -89.68 -9.25 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.504 HG21 ' CE1' ' A' ' 109' ' ' PHE . 7.2 mt -78.03 -30.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.21 46.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.04 -38.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -91.82 22.86 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -92.02 26.6 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -144.81 119.46 9.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -44.56 -33.74 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -70.09 -43.3 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mm-40 -62.08 -63.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 15.2 pt20 -42.5 -42.55 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 5.2 mt -59.21 -65.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -52.04 -39.05 59.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CG2' HD12 ' A' ' 110' ' ' LEU . 17.6 mt -56.73 -48.36 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -59.69 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.82 -35.41 76.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.5 -47.96 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.01 84.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 119' ' ' ILE . 25.1 t -59.66 -48.54 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -42.64 -31.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.74 -45.95 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -57.47 -50.25 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -49.41 -27.04 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 75' ' ' SER . 20.8 m -86.79 -45.94 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 126' ' ' ILE . 4.7 mt -47.98 -24.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' THR . 28.1 p -71.95 59.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -169.13 -40.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.422 HG12 ' CD2' ' A' ' 87' ' ' PHE . 49.5 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CD2' ' CD2' ' A' ' 133' ' ' TYR . 39.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.549 ' HE2' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.32 -31.91 55.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 25' ' ' LEU . . . -54.66 -47.18 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.8 m -69.09 -25.91 64.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.422 ' CD2' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -88.44 38.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CE1' ' HE2' ' A' ' 84' ' ' MET . 1.2 m-85 -136.78 -51.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -47.96 -30.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.3 p -69.52 -69.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 1.8 p30 -98.75 97.08 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' HD13 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -83.27 -32.84 26.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 2.6 mt-10 -44.64 -56.78 7.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.01 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.477 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . . . -52.22 -25.34 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 92' ' ' SER . 6.2 mt -75.9 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.63 -52.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 2.9 t80 -53.3 -44.64 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 45.6 t -56.38 -50.7 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 108.273 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.31 -46.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.42 ' CD1' HG22 ' A' ' 63' ' ' ILE . 26.0 mm -52.16 -60.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -56.25 -61.58 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.568 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.11 -36.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.53 -68.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 110' ' ' LEU . 11.2 m-85 -38.2 -38.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 2.7 m80 -70.33 -51.95 26.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.65 -37.83 87.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.33 81.44 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 51' ' ' ILE . 26.1 m-85 -148.55 -61.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 105' ' ' TYR . 1.6 mt -58.13 146.93 31.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.668 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 6.7 mm -63.14 -65.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -44.25 -30.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -51.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -72.03 -63.12 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.668 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.6 m-85 -39.89 -38.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.3 tp10 -76.9 -39.29 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.03 -25.2 7.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.46 HD13 ' CD2' ' A' ' 74' ' ' LEU . 11.0 mt -93.42 -63.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.09 -28.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 9.7 t70 -90.41 -60.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 125' ' ' THR . 14.7 t30 -47.72 -45.16 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt -58.11 -30.94 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.96 2.99 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 25.1 t0 -86.13 -30.99 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.73 -3.71 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.72 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 15.6 mm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.13 -46.2 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.25 -50.84 68.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.4 mt-30 -46.5 -39.89 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -51.39 62.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 1.1 mp -53.3 -60.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.25 -49.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 15.0 m-85 -67.36 -80.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -39.17 -33.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 15.4 t-20 -59.66 -49.46 77.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' PHE . 12.0 pt20 -84.13 45.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.94 -73.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.468 ' CB ' HG21 ' A' ' 42' ' ' VAL . 48.6 t -163.63 97.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -111.24 -65.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . 46.6 p 37.38 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.03 -73.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -33.27 57.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 20' ' ' THR . 6.3 tp10 -52.3 -25.26 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -72.98 -40.01 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 11.2 mt -57.81 -35.21 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -10.95 59.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 1.1 t80 -85.96 -58.04 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' PHE . 1.2 pt -33.28 -36.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' PHE . 2.0 t -82.84 -56.46 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 108.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -44.12 -57.14 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 39.8 m -42.16 -50.1 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -90.27 35.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.0 tp10 -170.51 72.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -150.02 -102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.58 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.424 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 8.9 t -113.04 -19.98 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 1.5 m-85 63.94 9.88 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.31 -3.51 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -117.96 15.93 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.577 HG13 ' CZ ' ' A' ' 27' ' ' PHE . 83.8 t -57.09 -107.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 6.2 t0 -121.74 -62.41 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 18' ' ' CYS . 4.3 p -42.31 136.91 2.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.05 144.69 30.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 73.6 mt -81.4 -20.64 40.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.545 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -52.67 -58.99 9.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.04 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.806 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 50' ' ' ILE . 33.8 mm -52.44 -36.44 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 12.7 mtpp -63.41 -15.89 58.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -35.26 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 3.5 pt -85.61 -9.63 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.567 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 8.6 mt -80.03 -23.83 11.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.62 39.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -107.71 -30.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.457 HG23 ' CD1' ' A' ' 63' ' ' ILE . 3.6 p -100.6 20.13 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -55.18 -51.51 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.1 152.48 39.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.33 -26.01 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 m-20 -69.48 -40.85 76.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -45.46 93.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.95 -59.58 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.13 -29.26 65.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 110' ' ' LEU . 6.4 mt -66.83 -47.02 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -57.4 9.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -62.53 -40.31 96.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.7 mt -56.69 -43.47 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.22 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASN . 39.0 t -63.02 -40.03 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.7 t-20 -38.5 -31.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' VAL . 3.1 t-20 -93.69 -62.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -40.16 -41.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -51.6 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ASN . 22.8 m -73.78 -32.93 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 126' ' ' ILE . 1.1 mt -59.75 -15.64 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -84.1 47.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -169.98 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 16.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.468 0.175 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.54 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 11.7 tmm? -54.61 -17.34 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 130' ' ' ILE . . . -66.96 -45.3 78.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -52.51 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.89 -22.9 50.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.612 ' CD2' ' CB ' ' A' ' 95' ' ' ALA . 17.1 t80 -86.51 -16.04 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -49.83 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.5 p -69.24 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.517 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.0 m120 -79.16 98.71 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -88.1 -37.48 16.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 2.0 mt-10 -46.75 -50.55 42.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.612 ' CB ' ' CD2' ' A' ' 88' ' ' PHE . . . -50.62 -34.23 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 92' ' ' SER . 1.8 mt -66.61 -59.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -51.93 -50.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.44 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.46 -56.7 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.37 -41.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' ' 123' ' ' TYR . 5.5 mm -70.39 -45.78 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.448 ' OH ' ' CB ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -59.84 -54.22 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.803 ' CE2' ' CE1' ' A' ' 27' ' ' PHE . 1.7 m-85 -49.76 -46.79 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' TYR . 45.6 mt -56.06 -74.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 10.3 m-85 -36.86 -64.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 124' ' ' GLU . 11.2 m-70 -44.44 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 4.1 m-30 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . 126.78 97.68 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' HD12 ' A' ' 51' ' ' ILE . 46.1 m-85 -162.12 -63.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 2.3 mt -53.16 157.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.463 ' CG1' ' N ' ' A' ' 119' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 5.3 mm -62.53 -58.92 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -43.06 -31.32 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -58.02 6.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.83 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.603 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.4 m-85 -37.52 -34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.592 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 89.7 mt-10 -85.58 -42.71 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.27 -21.73 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.54 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.6 mt -95.57 -62.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 126' ' ' ILE . . . -39.76 -29.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.8 t0 -90.21 -63.84 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 36.6 m-20 -43.81 -43.56 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 3.0 tt -57.4 -41.63 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.69 -10.57 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 23.0 t0 -75.1 -44.76 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 1.3 m-30 -74.72 -46.96 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.1 mt -43.6 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.5 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 2.7 mmmt -35.98 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.5 tp10 -57.99 -55.87 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 pt20 -55.6 -30.62 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.484 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 11.1 mt -69.43 -41.1 76.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -58.82 -58.55 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.3 p -41.24 -52.42 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CB ' HG21 ' A' ' 50' ' ' ILE . 19.7 m-30 -50.26 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.98 -45.74 71.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.1 m-20 -54.22 -31.19 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.49 2.57 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -110.59 -78.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.66 -172.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -79.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 p -41.31 163.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.22 28.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.628 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 5.2 mt-30 -70.33 -4.84 24.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' PHE . 6.1 pt-20 -37.11 -35.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -69.26 -57.26 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.5 mt -60.85 -24.53 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.85 -21.95 21.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' GLU . 33.3 t80 -76.37 -59.54 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.22 -29.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -89.31 -58.37 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 108.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -41.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 106' ' ' HIS . 45.8 m -78.4 53.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER 157.95 -23.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -98.15 31.66 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 t -134.66 -104.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.87 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.8 t -126.27 -161.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -96.64 -28.96 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -80.01 3.41 20.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -103.48 -29.7 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -54.38 153.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.17 60.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 4.6 p -164.77 133.47 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.98 149.09 36.29 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.494 1.786 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.88 -26.73 33.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.1 mt-10 -46.14 -57.4 8.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 24.5 mm -49.38 -43.78 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.65 -21.11 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.75 -42.3 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' CB ' ' A' ' 13' ' ' PHE . 3.9 pt -81.01 2.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.3 mt -98.64 -24.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -89.12 35.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.71 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.486 ' CG2' HD13 ' A' ' 63' ' ' ILE . 3.4 p -90.89 24.33 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -83.43 -27.07 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.91 131.61 34.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 58' ' ' ASN . 3.6 tt0 -45.26 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.6 m-80 -33.78 -40.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -58.63 -59.12 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 pt20 -50.37 -40.45 49.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.19 -60.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -31.92 46.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 54' ' ' THR . 14.5 mt -62.39 -41.72 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.89 72.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -70.4 -35.14 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.09 -48.91 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.08 -45.31 71.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 119' ' ' ILE . 20.8 t -62.4 -38.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -42.26 -28.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.08 -53.41 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.538 HD12 ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -49.24 -45.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -45.43 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -75.17 -36.79 61.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -17.59 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.01 31.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 23.1 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.525 0.203 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -8.9 31.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.485 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -68.75 -49.64 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -35.66 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 2.4 t80 -83.81 53.01 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 3.4 m-85 -172.38 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -49.74 -45.69 49.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.2 p -69.08 -60.09 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 42.9 m-20 -89.07 106.83 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' ILE . 70.2 m -85.42 -41.99 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.1 tt0 -40.24 -52.35 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.5 Cg_endo -74.97 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.26 -21.0 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -77.72 -55.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.509 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mp -50.32 -60.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -46.43 -53.67 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' VAL . 20.3 m -59.64 -71.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' CYS . 1.7 t -38.36 -41.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.533 HG21 ' CD2' ' A' ' 105' ' ' TYR . 13.5 mm -67.44 -58.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 58.0 t80 -36.45 -63.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 4.4 t80 -52.1 -50.82 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.406 ' C ' ' HB2' ' A' ' 110' ' ' LEU . 52.4 mt -51.07 -36.32 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.533 ' CD2' HG21 ' A' ' 101' ' ' ILE . 2.0 m-85 -82.15 -58.29 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.754 ' CE1' ' CZ ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.55 -70.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 6.4 m-85 -152.57 64.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.83 -112.64 2.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.3 m-85 -131.06 -19.05 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -49.74 134.96 19.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.1 mttm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.554 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 7.2 mm -41.27 -63.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 13.3 ttpt -39.19 -39.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.2 tptt -64.79 -61.7 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -58.74 -65.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.554 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 2.4 m-85 -40.63 -41.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.8 tt0 -75.39 -36.92 60.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -52.01 -27.52 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 16.0 mt -91.24 -63.41 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.413 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . . . -43.7 -27.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 131' ' ' ALA . 8.6 m-20 -87.88 -63.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -47.13 -44.34 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 85' ' ' ALA . 2.8 tt -65.04 -34.94 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -70.24 -7.24 40.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 12.8 t0 -80.64 -25.16 38.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -96.47 -34.94 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.542 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 54.0 mt -56.0 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 10.5 t-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.534 ' O ' ' C ' ' A' ' 7' ' ' LYS . 8.7 mm . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -29.84 -52.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.94 10.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.0 mt-30 -49.53 -32.85 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ILE . 14.1 mt -62.39 -59.85 4.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -38.47 -55.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -54.82 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE2' ' OD1' ' A' ' 49' ' ' ASN . 12.6 m-30 -58.73 -71.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -44.4 -53.3 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.91 -37.24 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -88.41 40.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.91 -65.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.89 -179.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.253 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.32 -73.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.7 p -85.09 -178.39 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -92.11 -37.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -74.7 -4.98 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -35.8 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -64.59 -49.46 71.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 5.6 mt -55.15 -32.98 62.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.04 -21.25 40.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CD1' ' OG1' ' A' ' 31' ' ' THR . 1.3 t80 -74.52 -60.84 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.58 -30.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -88.29 -64.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -45.61 -54.71 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.631 ' CG2' ' CG ' ' A' ' 106' ' ' HIS . 2.5 m -38.88 -42.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 33.99 5.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -170.54 60.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.56 -82.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.82 -74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 11.2 t -126.11 -150.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -103.4 -36.57 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -80.84 5.01 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -30.15 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.55 HG12 ' CZ ' ' A' ' 27' ' ' PHE . 53.7 t -45.43 164.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.597 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 1.4 t70 -65.87 -163.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.597 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 4.2 p 55.95 141.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 148.28 35.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 34.6 mt -81.73 -38.34 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -37.43 -56.96 1.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 103' ' ' PHE . 15.4 mm -44.14 -51.48 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -29.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.58 ' OD1' ' CE2' ' A' ' 13' ' ' PHE . 4.6 t-20 -73.66 -41.61 62.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG21 ' CB ' ' A' ' 13' ' ' PHE . 1.3 pt -82.88 6.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 109' ' ' PHE . 2.7 mt -99.9 -23.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.51 39.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.409 ' CD1' HD23 ' A' ' 10' ' ' LEU . 1.1 tp -111.71 -23.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 63' ' ' ILE . 1.7 p -108.4 28.18 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -64.74 -68.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.66 148.78 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 7.0 pm0 -67.05 -27.94 67.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 16.2 t-20 -64.98 -25.84 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 38.4 mm-40 -72.66 -58.71 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -43.6 -43.47 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -64.83 -65.01 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.68 -27.23 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 54' ' ' THR . 65.5 mt -73.03 -54.67 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.97 -60.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -37.8 75.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -60.54 -41.72 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.93 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 119' ' ' ILE . 45.1 t -62.03 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -39.96 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 2.6 t-20 -89.66 -60.87 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.439 HG12 ' CB ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.59 -44.77 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -50.33 70.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.6 m -66.93 -33.51 75.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -13.28 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.66 37.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -168.55 31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.527 0.203 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -71.02 -3.96 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -72.99 -46.72 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.7 -42.66 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -79.91 56.16 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' A' ' 95' ' ' ALA . 4.5 t80 -148.73 -48.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -41.2 86.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.5 p -71.22 -64.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.6 m-20 -94.04 102.59 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 56.5 m -86.83 -41.72 13.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HB3' ' HD3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -41.57 -50.67 9.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.04 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' A' ' 88' ' ' PHE . . . -53.58 -24.93 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.2 mt -74.32 -55.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.553 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -54.52 -41.51 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CE2' ' CE2' ' A' ' 102' ' ' TYR . 13.6 t80 -71.41 -23.71 61.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.443 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 52.0 t -83.65 -69.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.09 -38.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 10.4 mm -73.8 -50.35 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.609 ' CE2' ' CE2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -41.73 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 47' ' ' ILE . 10.5 t80 -50.47 -44.4 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt -49.97 -42.96 49.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -81.16 -55.49 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.631 ' CG ' ' CG2' ' A' ' 31' ' ' THR . 2.2 m80 -37.78 -60.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.591 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 87.3 m-85 -163.13 64.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.67 -108.65 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.568 ' CD1' HG21 ' A' ' 51' ' ' ILE . 7.0 m-85 -126.38 -34.43 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 3.4 mt -48.79 149.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.517 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.611 HG21 ' CE1' ' A' ' 123' ' ' TYR . 1.9 mp -38.43 -57.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -42.13 -52.35 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -54.49 34.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -58.16 -64.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.611 ' CE1' HG21 ' A' ' 119' ' ' ILE . 3.1 m-85 -41.61 -44.96 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -69.75 -34.81 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -57.0 -27.71 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.438 ' C ' ' N ' ' A' ' 128' ' ' ASP . 6.8 mt -92.88 -60.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.51 -28.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 126' ' ' ILE . 17.9 t70 -86.43 -60.38 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -49.91 -49.2 50.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 85' ' ' ALA . 7.5 tt -54.86 -19.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -90.09 20.17 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.29 -25.66 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.571 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -112.53 -31.56 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.441 HD23 ' CZ ' ' A' ' 133' ' ' TYR . 81.3 mt -45.61 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.28 -55.96 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.405 ' O ' ' OE2' ' A' ' 8' ' ' GLU . 1.2 tm-20 -53.84 -46.37 71.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.41 -28.36 29.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.48 -57.38 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -41.02 -58.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLN . 25.1 p -43.53 -64.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 19.4 m-85 -42.59 -72.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -46.1 -44.33 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.51 -31.87 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' SER . 4.4 mt-30 -73.9 -10.49 59.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -89.1 -74.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -84.98 -167.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' THR . 80.4 p -150.45 -52.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 23' ' ' GLU . 62.2 p -44.39 170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -25.76 14.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ASP . 59.7 mt-30 -76.79 1.59 16.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 22' ' ' GLN . 81.8 mt-10 -33.78 -46.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -62.34 -55.97 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 85' ' ' ALA . 7.4 mt -67.52 -10.86 55.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . 11.3 m-20 -90.62 -34.27 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.7 m-30 -67.4 -66.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.73 -31.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.2 m -90.54 -79.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' ASP . 66.1 m -38.35 -57.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 29.7 m -36.67 -43.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 31.97 6.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' CYS . 16.7 mm-40 -140.82 33.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.3 t -135.15 -101.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.74 -53.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -124.75 -151.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.556 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 13.9 m-85 -104.39 -43.76 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.8 t -69.46 -6.51 30.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -85.03 -28.05 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.47 161.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 8.0 t70 -85.06 63.96 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 p -166.0 140.35 3.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' C ' ' HD2' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.97 145.29 31.39 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 32.8 mt -81.7 -33.55 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -41.06 -55.96 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.97 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' HG12 ' A' ' 50' ' ' ILE . 19.7 mm -47.42 -50.44 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.1 mtpt -50.59 -22.79 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 6.6 t-20 -78.61 -39.07 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 3.5 pt -84.71 0.03 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.403 ' CD1' HG21 ' A' ' 47' ' ' ILE . 21.1 mt -97.59 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -89.95 37.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -110.65 -33.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.462 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -97.18 24.79 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -68.17 -69.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.78 134.84 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.18 -21.26 21.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.21 -48.29 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -56.57 -55.35 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -53.13 -40.8 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.61 -59.55 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.28 -29.1 57.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 54' ' ' THR . 36.7 mt -73.19 -51.38 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.02 -63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -55.39 -42.26 73.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -48.72 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.514 ' CB ' ' OH ' ' A' ' 123' ' ' TYR . . . -58.48 -42.71 88.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.487 ' CG2' HD12 ' A' ' 119' ' ' ILE . 39.5 t -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -40.51 -51.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' THR . 4.5 t-20 -74.47 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.591 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -40.75 -59.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -41.09 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASN . 23.4 m -72.69 -30.9 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 6.2 mt -61.33 -13.04 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 p -84.39 42.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.6 m -170.41 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.674 ' CG1' ' CE1' ' A' ' 87' ' ' PHE . 72.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.474 0.178 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 84' ' ' MET . 8.7 tpt -73.22 -4.68 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' HD13 ' A' ' 130' ' ' ILE . . . -72.74 -53.78 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t -53.22 -26.37 17.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.674 ' CE1' ' CG1' ' A' ' 77' ' ' VAL . 4.0 m-85 -83.35 47.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 3.6 t80 -125.87 -43.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -32.31 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 15.1 p -49.92 -44.92 50.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.494 ' HB3' ' CD ' ' A' ' 94' ' ' PRO . 16.7 m120 -166.93 134.42 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.4 p -84.7 -43.64 14.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -38.27 -52.59 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.494 ' CD ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.04 -50.37 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.28 -27.23 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 mt -70.17 -56.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.569 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -51.31 -43.46 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.02 -32.15 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' TYR . 51.4 t -74.4 -69.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.5 t -42.03 -54.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.555 HG23 ' CE2' ' A' ' 123' ' ' TYR . 6.2 mm -50.25 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.805 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -38.63 -68.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.791 ' CZ ' ' CE2' ' A' ' 107' ' ' PHE . 24.8 t80 -40.07 -60.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' PHE . 45.5 mt -38.7 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CD2' HD12 ' A' ' 110' ' ' LEU . 13.4 m-85 -47.24 -50.79 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.461 ' CB ' HG22 ' A' ' 31' ' ' THR . 6.1 m-70 -45.82 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.791 ' CE2' ' CZ ' ' A' ' 103' ' ' PHE . 3.9 m-30 -51.17 -31.62 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.26 63.23 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -124.38 -46.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -68.28 137.19 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' ILE . 2.7 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.488 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 20.3 mm -38.65 -68.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ILE . 3.5 ttpt -40.19 -47.99 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -50.72 -49.56 57.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -59.85 -66.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.805 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 11.7 m-30 -46.04 -24.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -84.37 -36.99 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -62.39 -29.03 70.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' A' ' 128' ' ' ASP . 2.3 mt -90.33 -54.14 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -39.63 -30.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -87.58 -52.15 5.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.35 -32.12 56.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 85' ' ' ALA . 2.1 tt -82.72 -27.09 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -86.77 4.63 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.8 -22.21 29.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -104.82 -23.8 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.7 mt -48.82 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 26.8 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.498 ' CE ' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.95 -53.66 52.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -56.9 -42.39 79.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.604 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.3 mt-30 -50.78 -38.65 49.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 7.8 mt -64.39 -54.18 36.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASN . 1.3 mp -50.43 -65.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -33.11 -54.25 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 6.3 m-30 -54.7 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 5.6 t80 -63.77 -9.14 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -83.08 -35.15 25.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 6.2 pt20 -82.2 7.6 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 18' ' ' CYS . . . -108.73 -66.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 23' ' ' GLU . 32.0 p -57.04 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.334 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -77.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -73.13 165.97 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -77.11 -18.74 57.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.556 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -88.61 0.86 55.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.76 -39.4 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 24.0 ptt85 -63.41 -52.18 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.4 mt -64.31 -27.66 69.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' SER . 2.2 t70 -82.44 -25.29 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -69.24 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -36.81 -34.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.53 -75.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 29' ' ' CYS . 8.7 t -33.66 -38.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 99.2 m -77.76 50.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 33' ' ' GLU . 10.0 ptt180 -176.29 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 32' ' ' ARG . 2.2 mt-10 -90.78 27.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.4 p -120.94 -109.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -171.49 -58.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 107' ' ' PHE . 15.1 t -115.78 -145.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.737 ' CD1' ' CG ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -114.7 -27.01 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.1 t -77.02 -4.16 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -93.9 -31.69 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' VAL . 75.2 t -59.22 151.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' N ' HG12 ' A' ' 40' ' ' VAL . 35.5 t70 -67.48 72.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 p -175.89 130.71 0.4 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 150.32 38.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.0 mt -80.87 -31.5 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 mt-10 -42.38 -58.78 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.526 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.3 mm -45.76 -48.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -46.63 -27.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -77.01 -42.32 39.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 HD13 ' CG2' ' A' ' 100' ' ' VAL . 1.4 pt -78.76 1.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.526 ' CD1' ' CG2' ' A' ' 47' ' ' ILE . 10.7 mt -102.35 -38.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -60.13 -14.9 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 HG21 ' CG2' ' A' ' 54' ' ' THR . 0.8 OUTLIER -67.3 -29.53 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 63' ' ' ILE . 8.3 p -106.84 18.24 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 15.5 mmtt -93.92 25.17 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' NE2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.15 138.37 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.5 tt0 -48.23 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 57' ' ' GLU . 22.9 m120 -32.47 -45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 56' ' ' ASP . 3.4 mp0 -64.05 -67.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -47.51 -32.78 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.03 -63.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.2 -27.42 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.456 HD13 ' CG2' ' A' ' 54' ' ' THR . 18.9 mt -71.93 -54.59 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -40.49 -58.16 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 64' ' ' THR . 0.1 OUTLIER -62.93 -50.24 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.2 mt -46.52 -44.55 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.1 -42.64 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.52 -29.03 61.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' CG ' ' CE1' ' A' ' 98' ' ' PHE . 27.8 m120 -92.35 -36.82 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -66.72 -49.75 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 73' ' ' THR . 4.4 ptmt -47.46 -38.8 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 4.1 m -73.46 -35.3 65.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.41 -17.5 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.29 34.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.97 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 133' ' ' TYR . 21.5 m-30 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.525 0.203 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 19.2 mmt -72.11 -39.52 68.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . . . -58.69 -46.06 88.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -41.23 -54.68 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -46.42 -39.34 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 95' ' ' ALA . 1.9 t80 -55.64 -21.43 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -61.57 -57.19 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 61.9 p -74.27 -71.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.407 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 1.1 t-20 -82.63 82.57 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 96' ' ' ILE . 57.6 p -89.43 -47.93 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 6.4 mt-10 -42.52 -50.63 12.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.94 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.454 1.765 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . . . -54.86 -20.79 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.5 mt -76.05 -60.4 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 7' ' ' LYS . 1.2 mp -40.69 -33.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CE1' ' CG ' ' A' ' 70' ' ' ASN . 5.1 m-30 -71.82 -47.51 52.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ILE . 16.6 t -44.19 -41.05 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -69.6 -42.44 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.468 HG22 ' CE2' ' A' ' 123' ' ' TYR . 3.3 mm -62.79 -34.84 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 3.6 m-85 -61.77 -73.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -36.39 -50.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 51' ' ' ILE . 86.0 mt -50.0 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.9 m-85 -51.83 -24.81 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.1 OUTLIER -61.32 -34.3 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.574 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.737 ' CG ' ' CD1' ' A' ' 37' ' ' PHE . 15.2 m-85 -115.76 39.54 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PHE . . . 36.63 58.88 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.23 -47.03 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.561 ' CD1' ' CE2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -62.94 138.54 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.499 ' CG1' ' N ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.594 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 5.8 mm -56.92 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 2.4 tttp -37.69 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' ILE . 3.6 tptt -63.82 -60.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -50.87 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.789 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 10.5 m-85 -43.51 -32.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.6 tt0 -78.58 -37.74 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.4 t -61.22 -25.69 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 128' ' ' ASP . 3.7 mt -95.17 -56.75 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 28' ' ' ILE . . . -40.6 -29.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 27.0 t0 -90.42 -59.06 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 2.7 m120 -47.21 -44.74 22.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 133' ' ' TYR . 4.7 tt -57.09 -32.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.87 1.76 11.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 41.1 t0 -85.96 -32.01 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 83' ' ' TYR . 9.3 p90 -131.88 37.31 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 130' ' ' ILE . 4.0 mt -91.07 -79.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -40.23 -52.89 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -36.32 55.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 53' ' ' ILE . 5.3 mt -57.65 -56.82 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.1 mp -46.61 -69.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 29.7 m -38.57 -67.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 5.6 m-30 -37.67 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.447 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 23.3 t80 -43.01 -36.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.2 t-20 -51.58 -37.5 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.0 mt-30 -86.72 40.82 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -145.25 -71.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.94 -167.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.338 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -84.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -60.06 179.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.18 -40.93 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASP . 7.7 mt-30 -52.49 -28.55 20.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -42.19 -49.17 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' NH2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.96 -60.93 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.514 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 13.9 mt -59.77 -20.83 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -83.09 -31.31 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -69.44 -60.71 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.579 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 3.3 pt -39.26 -30.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -87.27 -60.24 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.351 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.02 -63.04 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.552 HG21 ' CG ' ' A' ' 106' ' ' HIS . 5.4 m -48.54 -22.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 33.9 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -169.54 41.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.7 m -164.12 87.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -35.25 39.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -67.9 -21.3 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 40.4 m-85 48.45 21.31 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -121.95 -6.25 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -89.15 -10.18 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.47 156.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -66.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.585 ' CG1' ' CZ ' ' A' ' 103' ' ' PHE . 3.7 p -50.39 136.84 23.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 149.7 37.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 11.0 mt -81.4 -24.63 36.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.4 mt-10 -48.76 -58.94 7.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 4.1 mm -52.29 -36.39 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -13.38 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' PRO . 29.9 t30 -88.9 -36.87 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 6.0 pt -85.1 -1.67 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.513 HG23 ' CZ ' ' A' ' 109' ' ' PHE . 14.0 mt -88.3 -40.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.85 -13.11 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.427 ' CD1' HD23 ' A' ' 10' ' ' LEU . 5.9 tp -53.15 -31.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 63' ' ' ILE . 6.0 p -100.12 20.98 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.94 -39.13 91.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.07 145.12 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.8 pt-20 -65.56 -33.28 75.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.77 -45.53 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.95 -54.81 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -50.38 -65.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.05 -27.65 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 110' ' ' LEU . 13.4 mt -73.79 -52.72 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.69 -59.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -47.26 85.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.67 -41.02 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.93 92.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' ASN . 43.6 t -64.53 -48.34 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -40.98 -29.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -95.49 -53.56 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.584 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -48.7 -49.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -42.37 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -57.76 -29.97 65.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' A' ' 126' ' ' ILE . 36.6 mt -82.13 48.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.47 -6.88 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.415 HG21 ' CD2' ' A' ' 74' ' ' LEU . 46.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 63.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 126' ' ' ILE . 1.1 mpt? -56.88 -19.89 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -62.4 -46.78 87.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -49.86 -24.61 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -87.65 50.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CE2' ' HB1' ' A' ' 95' ' ' ALA . 18.4 t80 -143.02 -44.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -45.54 73.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -51.89 -40.99 61.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 70.7 m-20 -137.8 108.33 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -84.36 -44.05 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -37.73 -52.85 2.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -48.51 -31.26 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.402 ' CG2' HG13 ' A' ' 11' ' ' ILE . 2.0 mt -71.85 -57.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 97' ' ' ILE . 1.4 mp -60.52 -35.49 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.747 ' CZ ' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -71.71 -27.36 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.447 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 9.0 t -75.32 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.13 -54.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 11.0 mm -51.27 -58.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.747 ' CE1' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -43.93 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 107' ' ' PHE . 1.3 t80 -34.12 -59.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 51' ' ' ILE . 24.7 mt -44.35 -67.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 4.7 m-85 -54.09 -49.16 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.552 ' CG ' HG21 ' A' ' 31' ' ' THR . 0.0 OUTLIER -52.56 -51.5 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 2.9 m-85 -68.47 -36.8 79.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.09 77.75 1.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.513 ' CZ ' HG23 ' A' ' 51' ' ' ILE . 2.6 m-85 -141.05 -53.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.5 mt -59.46 151.69 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 1.6 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.7 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 13.6 mm -48.19 -71.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' CG ' ' HB3' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -42.24 -47.21 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -43.94 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -73.03 -64.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 119' ' ' ILE . 2.4 m-85 -40.48 -31.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.76 -42.55 21.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.23 -28.19 10.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 74' ' ' LEU . 15.4 mt -90.78 -62.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . . . -39.73 -29.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -82.06 -64.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 3.4 t-20 -49.79 -48.94 50.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.516 HD11 ' CB ' ' A' ' 85' ' ' ALA . 1.2 tt -55.82 -22.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 134' ' ' LEU . . . -86.82 10.39 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 51.6 t0 -74.07 -55.48 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -76.28 -20.41 57.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 131' ' ' ALA . 14.6 mt -49.95 -80.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -31.47 -47.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -57.2 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -47.99 -40.56 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.26 -60.67 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CD1' ' CE ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -39.64 -61.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -38.98 -62.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 18.3 m-85 -53.72 -72.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -43.08 -36.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.49 -41.41 96.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.9 mt-30 -73.0 -3.3 25.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -107.25 -88.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 15.8 p -97.7 110.47 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -72.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -40.91 152.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -75.63 -47.78 25.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.655 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.23 -35.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.79 -35.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.05 -52.32 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 85' ' ' ALA . 8.6 mt -67.06 -21.09 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-20 -81.67 -26.55 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.7 m-30 -72.72 -66.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -38.62 -32.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' PHE . 49.2 t -90.21 -76.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 19.6 m -40.79 -61.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.52 HG21 ' CG ' ' A' ' 106' ' ' HIS . 30.2 m -39.31 -51.46 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.69 34.84 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -167.88 50.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -136.88 -102.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -170.92 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 t -131.85 170.57 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 107' ' ' PHE . 3.0 m-85 -64.28 -38.68 91.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.9 t -78.45 4.56 12.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 t -100.2 -18.72 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.07 164.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -57.19 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 6.0 p -44.08 138.12 3.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 145.21 31.2 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 12.6 mt -82.11 -28.66 32.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -45.87 -57.37 8.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 51' ' ' ILE . 11.3 mm -45.78 -50.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -47.25 -27.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.598 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -75.38 -42.61 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 2.3 pt -82.51 4.57 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.549 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 10.6 mt -102.36 -29.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.61 36.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -38.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 63' ' ' ILE . 3.7 p -89.76 14.13 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -7.28 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.6 m-20 -104.8 139.48 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' ASN . 1.9 tt0 -50.88 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.2 m-20 -35.36 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -64.42 -59.15 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' CG ' ' HD3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -57.53 -27.78 62.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 2.4 mt -76.39 -56.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -31.34 65.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' A' ' 110' ' ' LEU . 15.6 mt -65.81 -51.39 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.97 -58.75 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -43.82 97.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -53.07 -54.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.66 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' A' ' 119' ' ' ILE . 6.8 t -64.74 -51.82 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.9 t30 -39.75 -31.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -97.84 -54.87 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -46.13 -56.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 -36.32 7.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 m -76.87 -32.31 57.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 98' ' ' PHE . 6.1 mt -60.15 -15.46 24.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -65.2 -10.38 31.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.074 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -8.85 24.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.528 0.204 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . 2.0 tmt? -36.04 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . . . -48.16 -45.64 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 0.4 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.2 m-85 -85.43 44.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 14.9 t80 -132.62 -45.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.531 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 20.1 p -64.42 -48.69 74.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.7 p -56.39 -56.42 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 35.8 p-10 -113.17 101.86 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 1.4 m -84.26 -41.7 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.5 mt-10 -38.0 -53.46 2.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.162 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.49 ' CG ' ' HB2' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.566 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -47.48 -27.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 mt -76.24 -59.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.498 HD12 ' CE ' ' A' ' 7' ' ' LYS . 1.3 mp -51.4 -35.49 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -63.42 -63.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 -59.26 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -43.86 -61.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 123' ' ' TYR . 5.2 mm -53.58 -46.07 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 123' ' ' TYR . 1.2 m-85 -57.68 -75.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -36.47 -51.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.03 -50.05 65.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 3.3 m-85 -68.82 -44.17 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.52 ' CG ' HG21 ' A' ' 31' ' ' THR . 17.1 m-70 -41.4 -60.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 22.3 m-85 -67.21 -63.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 13.8 m-85 -91.34 -58.15 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.4 mt -55.44 147.07 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.498 ' CG1' ' N ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.709 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 5.9 mm -59.4 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -46.71 -25.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -73.23 -65.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.709 ' CE2' ' CG2' ' A' ' 119' ' ' ILE . 3.5 m-85 -41.47 -40.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.85 -38.06 73.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -57.22 -28.28 62.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 128' ' ' ASP . 3.2 mt -93.94 -56.43 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.8 -25.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 71.2 m-20 -89.37 -60.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -49.95 -34.93 22.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 85' ' ' ALA . 1.7 tt -69.72 -30.86 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.83 2.96 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -82.06 -30.75 31.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -93.17 -18.78 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.14 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 9' ' ' GLN . 31.2 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' CE ' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -39.93 -29.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.2 tt0 -64.64 -52.05 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.28 -28.36 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 7.8 mt -63.06 -47.97 80.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.85 -58.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -41.4 -63.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 4.6 m-30 -36.53 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.617 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 1.2 m-85 -30.48 -48.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.5 t-20 -37.95 -46.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 2.4 pt20 -80.89 47.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -160.48 -73.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.46 106.75 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 27.68 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -77.59 -159.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -104.99 -53.87 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' ASP . 23.0 mt-30 -74.81 -2.3 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -37.53 -35.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HG3' ' CD2' ' A' ' 25' ' ' LEU . 1.6 ptp85 -77.53 -50.69 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 12.9 mt -68.7 -7.96 38.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLN . 3.0 m-20 -87.78 -38.75 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.2 m-85 -67.11 -61.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 2.2 pt -49.3 -25.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 46.5 t -86.93 -73.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.259 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -41.71 -48.77 4.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.555 HG21 ' CD2' ' A' ' 106' ' ' HIS . 86.7 m -48.37 -41.18 27.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.05 18.64 15.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 34' ' ' SER . 81.0 mm-40 -148.23 48.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 3.4 m -168.8 91.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -48.82 -29.89 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 1.8 t -103.59 -155.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 36' ' ' THR . 0.3 OUTLIER -123.95 -37.73 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -61.65 -13.07 19.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -48.74 12.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -43.49 146.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.591 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 9.4 t0 -56.97 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.591 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 3.4 p 56.68 142.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.03 147.47 33.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 24.9 mt -82.03 -11.77 58.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mt-10 -61.87 -59.8 12.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.563 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -75.06 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 6.7 mm -51.74 -40.82 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -12.4 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 7.3 t-20 -85.05 -37.25 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 14' ' ' PHE . 29.6 pt -85.85 -7.75 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' A' ' 109' ' ' PHE . 19.5 mt -77.82 -23.23 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -90.07 26.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -100.76 -28.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 p -98.65 -17.49 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -44.08 -44.12 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 6.6 m-20 -63.71 144.59 56.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 2.2 tt0 -58.75 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' GLU . 72.5 m-20 -37.46 -35.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 4.4 mm-40 -57.89 -54.11 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 2.5 mm-40 -51.53 -52.61 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -63.56 -52.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -55.2 -29.7 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.423 HG23 ' CD1' ' A' ' 101' ' ' ILE . 22.4 mt -67.96 -46.68 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.99 -56.66 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.44 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 -47.76 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.58 -44.99 85.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.8 t -60.03 -38.6 77.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -51.95 -22.71 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -92.29 -37.69 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -69.86 -49.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -26.3 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 m -86.94 -41.59 13.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' CD1' HD11 ' A' ' 126' ' ' ILE . 3.5 mt -49.32 -26.83 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.85 62.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -170.19 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' SER . 21.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE2' ' CD1' ' A' ' 133' ' ' TYR . 52.1 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mmt -77.09 0.53 21.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.474 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -82.3 -44.34 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . 55.5 m -63.49 -46.23 87.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -48.88 -55.83 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.4 m-85 -61.35 -16.25 44.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -63.83 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.1 p -70.08 -41.99 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.505 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 3.9 t-20 -93.34 89.4 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ILE . 52.4 p -86.5 -47.37 9.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -37.37 -53.4 2.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -75.0 -47.13 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.7 -22.82 9.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 mt -78.57 -57.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.477 HD12 ' CE ' ' A' ' 7' ' ' LYS . 1.4 mp -54.29 -36.08 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.43 -59.74 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.9 -65.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.3 t -41.96 -59.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 105' ' ' TYR . 11.3 mm -51.16 -66.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.613 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 61.6 t80 -35.88 -64.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -45.75 -44.48 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 108' ' ' GLY . 25.0 mt -62.04 -73.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -39.41 -60.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CE1' ' CE1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.69 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -149.73 76.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -141.88 -106.43 0.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 51' ' ' ILE . 22.3 m-85 -131.5 -30.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 2.0 mt -48.19 154.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 2.2 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.553 HG22 ' CD1' ' A' ' 123' ' ' TYR . 6.9 mm -42.49 -69.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 2.1 ptmt -42.72 -32.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.52 -54.25 39.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -73.84 -62.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.553 ' CD1' HG22 ' A' ' 119' ' ' ILE . 2.9 m-85 -37.78 -36.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 28.8 tt0 -81.9 -43.05 18.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.3 t -44.55 -27.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' A' ' 128' ' ' ASP . 14.6 mt -90.97 -63.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.24 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -83.05 -61.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -50.02 -44.25 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.421 HD11 ' CA ' ' A' ' 85' ' ' ALA . 1.7 tt -62.51 -28.99 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -84.63 3.71 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.47 -27.42 22.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -100.81 -19.9 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 10.7 mt -51.94 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 4.2 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' GLN . 11.7 mm . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HE2' ' CG ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -42.52 -39.12 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -44.62 96.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 mt-30 -55.06 -33.95 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.14 -42.6 84.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.2 mp -60.03 -61.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -39.29 -58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 4.2 m-85 -42.48 -90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -43.98 -36.65 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -59.19 -38.07 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 4.1 pt20 -89.45 28.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HD2' ' A' ' 43' ' ' PRO . . . -118.5 -65.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -132.21 156.22 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -58.89 -16.47 17.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.47 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 43.6 p 42.38 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.458 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 80.52 -56.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 4.2 pt20 -95.68 -34.29 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -57.29 -47.89 80.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 88' ' ' PHE . 10.6 ptt180 -43.31 -47.41 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 4.3 mt -64.34 -35.44 80.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.4 t0 -84.92 -7.09 59.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 103' ' ' PHE . 62.6 t80 -89.47 -58.36 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -37.99 -31.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.26 -61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.273 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.53 ' HA ' ' HG3' ' A' ' 33' ' ' GLU . 38.0 m -46.96 -48.51 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 106' ' ' HIS . 23.8 m -55.46 -17.04 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.46 31.78 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -171.14 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 m -118.32 -93.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.85 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 t -116.48 -151.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -104.29 -40.49 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -71.13 -5.12 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -88.95 -32.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 27' ' ' PHE . 98.7 t -57.01 147.92 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.677 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 12.1 t0 -53.91 163.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.677 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER 91.88 135.47 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.03 158.75 41.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 69.3 mt -84.12 -15.86 45.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 mt-10 -56.32 -56.33 32.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.95 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CG1' HG13 ' A' ' 42' ' ' VAL . 7.0 mm -48.58 -50.48 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.5 -15.54 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.609 ' CG ' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t-20 -84.36 -34.79 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.3 pt -87.46 -21.67 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 109' ' ' PHE . 5.0 mt -66.74 -21.93 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 29.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -109.75 -24.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 63' ' ' ILE . 3.9 p -111.73 20.57 16.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -71.6 -55.93 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.65 132.11 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -55.85 -29.96 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 90.9 m-20 -67.97 -34.62 76.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.02 -46.71 64.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.01 -37.05 68.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.0 mt -71.54 -57.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -35.47 70.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 110' ' ' LEU . 28.6 mt -59.91 -44.94 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -56.21 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.11 82.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -51.39 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.96 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' HD13 ' A' ' 119' ' ' ILE . 37.9 t -65.24 -54.17 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.5 t30 -38.93 -30.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -97.04 -54.59 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -46.79 -50.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -51.7 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -61.43 -33.48 73.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mt -61.27 -14.41 26.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.02 47.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.7 m -169.94 -66.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 87' ' ' PHE . 5.1 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' A' ' 133' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.538 0.209 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.426 ' CG ' ' CE1' ' A' ' 88' ' ' PHE . 49.3 ttp -63.96 -22.46 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -63.16 -43.23 98.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -32.2 70.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 77' ' ' VAL . 24.1 t80 -90.27 23.81 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -32.37 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 t -64.17 -49.38 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.7 p -60.17 -49.87 75.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -101.24 99.66 10.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ILE . 53.1 p -86.27 -48.01 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.489 ' CG ' ' HE2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -37.75 -53.23 2.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.74 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.604 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 9.8 mt -72.02 -66.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.419 HD12 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -52.74 -40.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -48.43 -69.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -47.13 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.35 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' CYS . 1.4 t -39.23 -53.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 123' ' ' TYR . 8.8 mm -55.34 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 26.1 t80 -40.41 -57.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 5.8 t80 -37.72 -64.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' TYR . 4.5 mt -49.56 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' LEU . 1.3 m-85 -34.41 -58.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.8 t60 -39.84 -61.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.565 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.578 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -165.63 76.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -142.94 -104.24 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 5.7 m-85 -121.84 -38.12 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.3 mt -50.16 136.2 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 31.9 mm -41.68 -62.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -43.62 -36.64 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -69.8 -44.3 70.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -66.28 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.712 ' CE2' ' CG2' ' A' ' 119' ' ' ILE . 2.5 m-85 -42.28 -35.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.34 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -54.35 -28.14 40.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' C ' ' N ' ' A' ' 128' ' ' ASP . 4.7 mt -92.96 -57.85 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.421 ' HB1' ' CG2' ' A' ' 28' ' ' ILE . . . -40.62 -29.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.6 OUTLIER -87.44 -57.69 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 1.9 t30 -48.79 -45.35 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 85' ' ' ALA . 8.8 tt -58.71 -30.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.62 2.18 26.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 6.2 t70 -87.33 -22.79 24.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -102.09 -25.53 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 44.6 mt -50.4 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 3.3 t30 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.7 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -39.83 -44.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -48.28 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -57.07 -37.42 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 13.5 mt -56.88 -45.26 82.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.13 -56.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 9.2 m -42.4 -63.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 1.9 m-85 -37.68 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.666 ' CE1' ' CG2' ' A' ' 100' ' ' VAL . 1.9 m-85 -32.21 -46.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.8 t-20 -39.09 -45.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.3 mt-30 -81.42 46.54 0.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . -159.88 -76.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m -160.52 120.25 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -145.94 21.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -78.18 -165.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -115.72 -44.5 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -64.24 -52.12 60.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 41' ' ' ASP . 23.9 mt-10 -54.45 -36.12 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mtm-85 -59.62 -54.39 46.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 85' ' ' ALA . 3.8 mt -56.7 -32.05 65.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.53 -22.22 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -72.37 -60.87 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -39.43 -30.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' N ' ' C ' ' A' ' 27' ' ' PHE . 49.1 t -86.23 -75.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -39.47 -53.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.66 ' CG2' ' CG ' ' A' ' 106' ' ' HIS . 17.3 m -38.1 -56.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 29.38 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -170.22 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -127.1 -103.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.47 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 5.4 t -99.04 -18.9 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.618 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 19.0 m-85 63.82 10.47 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -126.14 1.01 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' ' CG2' ' A' ' 36' ' ' THR . 1.1 m -126.54 18.61 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.36 -96.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' OD2' ' OE2' ' A' ' 23' ' ' GLU . 16.7 t0 -139.02 -54.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 18' ' ' CYS . 7.2 p -58.8 140.29 86.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.04 147.85 34.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 22.2 mt -82.17 -31.98 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.8 mt-10 -42.96 -58.0 4.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -75.04 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.532 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 15.8 mm -49.47 -49.58 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.3 mttm -59.29 -16.15 20.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 9.9 t-20 -78.59 -35.01 46.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' A' ' 14' ' ' PHE . 33.1 pt -85.82 -36.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.573 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 9.6 mt -46.66 -24.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.64 36.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -110.48 -35.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.402 ' CG2' HD11 ' A' ' 63' ' ' ILE . 2.1 p -104.27 23.85 12.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -73.29 -34.94 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 169.36 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.6 -51.35 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -58.99 -18.3 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -56.02 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -49.7 -41.23 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 61.3 mt -63.79 -62.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -35.02 59.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CG2' HD22 ' A' ' 110' ' ' LEU . 39.5 mt -62.76 -50.9 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.81 -58.47 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -47.54 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' O ' ' OD1' ' A' ' 70' ' ' ASN . . . -54.92 -45.07 74.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -68.28 -33.32 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -61.39 -31.78 71.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -92.87 -36.64 12.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -65.05 -47.11 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -47.44 -24.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 71' ' ' ILE . 33.0 m -88.01 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 126' ' ' ILE . 2.6 mt -54.56 -19.8 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.84 28.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.596 ' SD ' ' CE1' ' A' ' 88' ' ' PHE . 1.3 tmm? -51.3 -20.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 25' ' ' LEU . . . -48.94 -42.67 38.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.3 m -63.67 -36.13 82.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.57 -37.48 58.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE1' ' SD ' ' A' ' 84' ' ' MET . 76.5 m-85 -60.04 -39.2 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 -49.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.3 p -49.76 -49.86 46.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 29.3 m-80 -139.04 107.81 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' ILE . 22.2 m -85.47 -35.07 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.0 mt-10 -46.65 -54.42 19.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.455 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.5 Cg_endo -74.95 -43.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 88' ' ' PHE . . . -57.4 -21.15 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 97' ' ' ILE . 3.5 mt -78.94 -63.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.2 mp -43.05 -59.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.532 ' CE2' ' HE3' ' A' ' 84' ' ' MET . 0.0 OUTLIER -50.32 -49.09 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.9 t -50.38 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.345 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.666 ' CG2' ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -46.29 -36.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 98' ' ' PHE . 10.4 mm -69.75 -77.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 5.6 t80 -43.29 -27.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.625 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 11.8 t80 -61.98 -60.5 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.57 -18.48 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 4.6 m-85 -90.73 -39.6 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.66 ' CG ' ' CG2' ' A' ' 31' ' ' THR . 0.4 OUTLIER -78.4 1.51 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.601 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CD2' ' NE2' ' A' ' 106' ' ' HIS . 2.1 m-85 -129.19 -41.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 109' ' ' PHE . . . 109.01 105.56 2.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 3.8 m-85 -176.35 -42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -64.48 133.89 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.482 ' CG1' ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.517 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 6.4 mm -58.91 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 0.4 OUTLIER -41.09 -30.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -54.21 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -59.27 -70.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.572 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 14.0 m-30 -39.78 -31.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 9.5 mm-40 -84.6 -42.2 15.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.3 t -53.37 -22.81 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.465 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 9.5 mt -97.16 -62.43 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.7 -25.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 131' ' ' ALA . 34.8 t0 -90.86 -59.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 125' ' ' THR . 56.7 m-20 -47.42 -37.27 11.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.497 ' HA ' ' CD2' ' A' ' 133' ' ' TYR . 6.6 tt -67.94 -37.44 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.66 -11.01 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.42 -29.08 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.6 OUTLIER -90.54 -34.04 15.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.9 -70.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 7' ' ' LYS . 22.8 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.555 ' CD ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -35.66 -59.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.47 -52.08 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 1.8 mt-30 -49.99 -40.7 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.6 mt -66.77 -61.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' CE ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -39.48 -62.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -38.43 -68.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CB ' HG23 ' A' ' 50' ' ' ILE . 9.4 m-30 -43.73 -64.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t80 -57.94 -14.64 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.4 t-20 -76.07 -36.88 58.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.01 -3.43 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -105.38 -81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.597 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 58.9 m -154.07 114.24 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -119.68 -92.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' SER . 15.0 p 35.07 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' GLN . 67.0 m170 -111.62 -77.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.641 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.8 mm100 -36.19 -45.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -35.9 -43.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.58 -68.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 13.4 mt -56.17 -30.07 61.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.74 -26.54 60.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -70.49 -63.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -39.37 -30.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' PHE . 25.3 m -88.05 -60.27 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p -45.75 -47.69 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 1.9 m -76.47 54.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 174.97 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -92.21 30.17 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -122.52 -102.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.91 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -127.91 -158.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HB2' ' CD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -101.56 -31.21 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 43.5 t -82.89 7.26 15.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -103.84 -25.72 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.1 t -51.95 158.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -62.12 -57.05 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 5.9 p -38.24 136.77 0.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 26.3 mt -82.64 -21.47 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.68 -57.61 13.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' A' ' 50' ' ' ILE . 15.9 mm -48.19 -42.5 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -51.91 -27.23 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -75.72 -42.7 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 13' ' ' PHE . 2.1 pt -82.51 5.12 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 109' ' ' PHE . 3.9 mt -99.16 -24.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.71 37.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.35 -28.88 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.483 ' CG2' HD13 ' A' ' 63' ' ' ILE . 4.3 p -103.98 20.85 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -62.21 -56.49 18.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.5 148.79 47.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 58' ' ' ASN . 15.2 pt-20 -65.02 -49.1 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 1.4 m-20 -49.04 -34.9 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ILE . 15.7 mm100 -66.12 -58.5 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 40.7 mt-30 -45.16 -44.59 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.7 -63.0 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.68 -26.56 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CG2' HD12 ' A' ' 110' ' ' LEU . 52.1 mt -72.32 -46.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -52.44 23.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -43.34 80.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.7 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 119' ' ' ILE . . . -52.47 -44.45 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ASN . 17.1 t -66.11 -49.0 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' VAL . 26.6 t30 -36.51 -39.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' THR . 28.7 t-20 -88.59 -59.32 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -40.57 -52.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.87 -45.09 10.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.5 m -66.87 -34.25 77.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ILE . 2.3 mt -61.07 -15.19 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 m -79.6 52.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.2 t -170.36 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' SER . 22.4 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.501 0.191 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.538 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 4.1 mpp? -76.03 1.19 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 130' ' ' ILE . . . -81.25 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -23.35 62.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 3.6 t80 -87.72 47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 13.4 m-85 -153.68 -43.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -40.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 19.8 p -84.28 -59.59 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.503 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.7 t-20 -80.32 89.32 5.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.2 p -87.05 -48.66 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -37.56 -53.36 2.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.503 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.99 -48.68 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.11 -21.36 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.6 mt -78.59 -53.34 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.555 HD11 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.12 -45.14 77.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 123' ' ' TYR . 5.2 t80 -62.93 -36.1 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -59.42 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.44 ' CG2' HD11 ' A' ' 50' ' ' ILE . 1.3 t -53.3 -39.09 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.613 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 3.4 mm -71.13 -55.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.618 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 56.0 t80 -38.82 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -53.66 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.3 mt -44.97 -51.77 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 2.8 m-85 -66.05 -47.18 75.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.618 ' CE1' ' CZ ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.551 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 31' ' ' THR . 0.1 OUTLIER -170.19 60.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -119.44 -107.87 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.575 ' CE1' HG23 ' A' ' 51' ' ' ILE . 6.5 m-85 -120.9 -31.95 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 3.0 mt -49.83 152.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.458 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.674 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 7.0 mm -38.79 -58.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -39.14 -45.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.68 -62.21 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -51.54 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.674 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 5.8 m-85 -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -82.19 -39.94 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -50.04 -32.97 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.432 ' C ' ' N ' ' A' ' 128' ' ' ASP . 6.1 mt -85.47 -61.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.95 -28.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 126' ' ' ILE . 4.6 m-20 -82.7 -64.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER -49.96 -51.68 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 28' ' ' ILE . 1.3 tt -53.81 -20.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -90.55 22.54 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 129' ' ' ASN . 0.9 OUTLIER -89.5 -55.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -19.6 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.6 mt -56.01 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.461 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 mm . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.469 ' CE ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -47.17 -63.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -48.74 -43.97 38.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.73 -41.39 81.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.518 ' C ' ' CE2' ' A' ' 14' ' ' PHE . 17.8 mt -53.23 -57.54 10.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -41.65 -55.66 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -40.24 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.5 m-30 -31.82 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.62 ' CE1' HG23 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -32.67 -51.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' PHE . 3.5 t30 -39.31 -45.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 15.4 mt-30 -81.08 46.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.55 -74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' CB ' HG22 ' A' ' 42' ' ' VAL . 52.3 t -162.74 83.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -83.65 -69.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.9 p 37.99 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.4 m-70 -137.49 -99.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.655 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -35.01 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' HIS . 31.4 mm-40 -39.4 -38.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HD2' ' CE2' ' A' ' 88' ' ' PHE . 12.7 ptt-85 -54.36 -47.47 72.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 16.0 mt -62.3 -26.98 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.84 -9.1 52.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -89.83 -57.92 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -38.97 -30.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 4.8 t -90.36 -61.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -46.75 -55.72 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 35.8 m -42.03 -49.53 4.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 26.92 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -159.54 45.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -128.78 -99.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -170.66 -54.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 39' ' ' SER . 3.1 t -137.31 -169.69 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 4.4 m-85 -91.4 -46.41 8.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.403 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -62.62 -12.63 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.436 ' CB ' HG23 ' A' ' 36' ' ' THR . 3.3 m -78.78 -45.97 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -40.81 159.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 36.2 t0 -78.52 75.28 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 18' ' ' CYS . 5.4 p -175.56 135.01 0.48 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.04 148.33 34.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 35.3 mt -82.31 -34.76 28.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -40.52 -57.34 3.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 43' ' ' PRO . 10.4 mm -48.62 -34.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.85 -21.01 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' PRO . 10.7 t-20 -83.2 -40.06 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 14' ' ' PHE . 3.7 pt -76.98 -4.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mt -89.69 -33.27 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -68.79 -24.57 64.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -23.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 63' ' ' ILE . 3.1 p -113.99 15.71 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 23.3 mmtt -95.78 31.82 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -140.43 134.75 31.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.1 tt0 -42.34 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 12.6 p-10 -38.67 -48.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 20.8 mm-40 -51.34 -50.8 58.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.6 mt-30 -55.19 -50.66 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.81 -53.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.57 -38.46 66.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' HD21 ' A' ' 110' ' ' LEU . 21.7 mt -59.36 -52.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.14 -60.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.45 86.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -48.61 -42.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' CG2' HD12 ' A' ' 119' ' ' ILE . 47.9 t -64.35 -43.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 65.4 t30 -39.68 -31.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.3 t30 -92.7 -58.46 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -44.5 -52.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -40.07 -42.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.0 m -89.13 -33.96 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -17.15 55.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 35.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.21 -66.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 87' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.519 0.2 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.581 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -78.94 4.37 14.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' HD12 ' A' ' 130' ' ' ILE . . . -92.77 -46.17 7.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -51.33 -44.65 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 4.3 m-30 -47.9 -38.84 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -60.73 -21.45 62.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -61.37 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.9 p -80.85 -45.67 16.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.2 m-20 -87.35 76.98 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 96' ' ' ILE . 4.0 m -90.41 -50.84 5.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -47.06 -48.29 53.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.03 -46.9 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.577 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -58.48 -23.55 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.7 mt -71.91 -59.68 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 HD13 ' CE ' ' A' ' 7' ' ' LYS . 1.4 mp -51.24 -50.65 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.71 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 1.6 t80 -58.3 -50.75 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . 43.3 t -41.38 -63.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.62 HG23 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -47.42 -58.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.447 HG23 ' CE2' ' A' ' 105' ' ' TYR . 22.9 mm -42.94 -50.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -57.55 -53.37 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 107' ' ' PHE . 4.6 t80 -51.14 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 100' ' ' VAL . 7.5 mt -44.14 -49.0 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 2.0 m-85 -59.49 -43.68 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.8 OUTLIER -79.96 -2.76 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -110.87 -2.07 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.81 90.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -161.43 -60.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.6 mt -58.5 151.01 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 123' ' ' TYR . 24.6 mm -40.51 -61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.0 -48.17 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -42.2 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -78.96 -63.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.71 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 5.6 m-85 -42.54 -34.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.62 -38.42 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.85 -31.46 39.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 128' ' ' ASP . 8.3 mt -86.52 -60.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.51 -27.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 131' ' ' ALA . 4.0 t70 -85.44 -63.01 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 41.6 t-20 -49.58 -47.05 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.478 HD12 ' CB ' ' A' ' 85' ' ' ALA . 1.2 tt -56.5 -23.05 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -85.49 6.86 25.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 29.4 t0 -76.96 -56.74 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.402 ' CZ ' HD21 ' A' ' 134' ' ' LEU . 0.8 OUTLIER -71.99 -15.69 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 133' ' ' TYR . 12.0 mt -57.82 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' LYS . 6.1 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' NZ ' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -39.02 -60.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -45.27 -46.39 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.45 -38.62 90.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.93 -48.8 78.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -48.9 -62.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 8.6 m -37.73 -41.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 4.2 m-30 -78.91 140.75 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CE1' ' SG ' ' A' ' 99' ' ' CYS . 2.4 t80 75.99 -48.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.01 -33.66 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.47 5.21 40.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.72 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' OE2' ' A' ' 23' ' ' GLU . 5.4 p -50.67 174.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.23 -85.94 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -46.56 167.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -86.47 -29.17 22.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -80.55 -4.32 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -38.99 -39.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 3.2 mpt_? -68.04 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 8.8 mt -46.38 -28.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -39.93 18.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.5 t80 -57.93 -65.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -36.18 -33.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -80.1 -73.43 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -34.52 -36.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.54 ' CG2' ' HB2' ' A' ' 106' ' ' HIS . 12.2 m -46.42 -44.54 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -116.85 32.12 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -172.01 73.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 35' ' ' ASP . 31.4 t -151.93 -98.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' HG ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -171.28 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' CB ' ' A' ' 39' ' ' SER . 4.0 t -140.27 -173.28 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.18 -43.46 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 30.1 t -72.8 -2.22 19.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.42 ' CB ' HG23 ' A' ' 36' ' ' THR . 1.5 m -93.09 -35.98 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -40.62 152.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -45.89 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.654 ' CG1' ' CE1' ' A' ' 103' ' ' PHE . 4.9 p -50.23 128.36 23.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.96 151.64 39.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 13.7 mt -81.45 -30.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -42.79 -57.54 4.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.58 HG22 ' CE2' ' A' ' 103' ' ' PHE . 16.3 mm -50.86 -35.94 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -64.54 -21.01 66.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -87.02 -26.15 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -88.66 -25.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -60.71 -23.22 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.06 -25.26 63.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.5 tp -53.13 -32.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 59' ' ' GLN . 3.1 p -107.96 28.58 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -55.64 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.12 -177.68 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 2.3 mm-40 -80.36 -50.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.4 m120 -37.06 -33.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 52.1 mm-40 -74.66 -64.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.56 -38.9 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 57' ' ' GLU . 1.6 mp -61.26 -65.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -55.73 -36.93 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 110' ' ' LEU . 63.7 mt -58.31 -52.2 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -59.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.22 76.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -44.45 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.61 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.98 -49.63 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -41.14 -31.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.92 -54.54 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.592 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -46.9 -50.26 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.89 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.6 m -61.19 -41.25 96.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 126' ' ' ILE . 0.6 OUTLIER -40.12 -34.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.97 62.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.17 -39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' SER . 41.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.783 ' CE1' ' CD1' ' A' ' 133' ' ' TYR . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.557 0.218 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.07 -31.62 19.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.484 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -51.11 -55.44 17.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.9 p -48.89 -26.92 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -83.95 47.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -140.82 -43.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 t -45.81 -51.86 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -92.9 -42.61 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -89.35 78.38 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 29.8 p -90.53 -52.23 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.5 mt-10 -46.84 -47.56 52.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.99 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASN . . . -59.25 -19.31 44.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 0.9 OUTLIER -77.56 -51.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.508 ' CD1' ' NZ ' ' A' ' 7' ' ' LYS . 1.5 mp -57.21 -39.73 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.669 ' CE1' ' CZ ' ' A' ' 123' ' ' TYR . 5.2 t80 -70.36 -35.37 73.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 14' ' ' PHE . 7.5 t -57.43 -58.22 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.575 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 1.7 t -54.08 -48.38 64.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 63' ' ' ILE . 4.0 mm -58.88 -52.54 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -34.99 -66.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.654 ' CE1' ' CG1' ' A' ' 42' ' ' VAL . 21.4 t80 -55.65 -60.95 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 103' ' ' PHE . 10.2 mt -34.98 -35.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.498 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 3.5 m-85 -90.35 -48.26 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.745 ' CE1' ' HB2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -37.14 -58.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.745 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 17.2 m-85 -167.76 49.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.19 3.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.533 ' CE1' HG22 ' A' ' 51' ' ' ILE . 13.5 m-85 -129.21 -26.03 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.8 mt -48.57 140.19 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.2 mttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.589 HG22 ' CE1' ' A' ' 123' ' ' TYR . 13.5 mm -42.57 -66.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -43.52 -44.8 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.43 ' O ' ' NZ ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -55.61 -51.49 67.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -65.25 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.669 ' CZ ' ' CE1' ' A' ' 98' ' ' PHE . 6.3 m-85 -41.28 -32.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.44 -41.42 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' ALA . 2.5 t -51.16 -27.38 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 74' ' ' LEU . 7.6 mt -92.69 -60.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 102' ' ' TYR . . . -38.95 -30.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -85.1 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 33.0 t30 -51.27 -47.91 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.484 HD11 ' CB ' ' A' ' 85' ' ' ALA . 1.3 tt -55.67 -31.18 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.93 -2.48 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.4 t0 -74.63 -27.26 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 83' ' ' TYR . 5.7 m-85 -97.69 -28.29 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 25' ' ' LEU . 33.6 mt -68.87 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.2 mm . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.463 ' CD ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -43.61 -39.91 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.32 -42.15 98.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' ILE . 4.2 mm-40 -57.01 -35.12 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.76 -42.98 85.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.444 HG13 ' CD1' ' A' ' 96' ' ' ILE . 1.1 mp -50.53 -68.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 13.4 t -41.47 -58.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.4 m-30 -45.53 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.56 -41.02 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 34.3 t-20 -58.2 -33.25 69.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.7 mm100 -73.86 -3.86 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.23 -73.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.87 -164.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.43 -81.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -41.51 157.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.441 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -81.53 -35.7 30.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.11 14.11 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.22 -41.12 71.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 1.5 ptm85 -61.3 -31.46 71.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 6.1 mt -70.51 -40.83 73.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -10.8 59.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 103' ' ' PHE . 55.2 t80 -88.96 -61.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.48 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -83.05 -69.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -44.4 -49.86 9.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.607 ' CG2' ' CG ' ' A' ' 106' ' ' HIS . 24.5 m -37.74 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -135.8 31.94 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -149.19 35.36 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -132.43 -104.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -113.95 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 17.2 m-85 -122.68 0.56 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -96.52 -5.03 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' C ' ' A' ' 40' ' ' VAL . 38.0 t -108.58 -73.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 39' ' ' SER . 80.3 t 22.95 -109.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.49 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 5.7 t70 -151.56 32.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -158.19 131.88 4.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 150.91 38.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 12.7 mt -81.18 -29.23 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -44.2 -58.69 4.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.04 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 51' ' ' ILE . 17.9 mm -46.99 -49.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -48.86 -26.02 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.6 t-20 -77.86 -39.14 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 47' ' ' ILE . 1.3 pt -83.25 0.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 47' ' ' ILE . 17.7 mt -94.55 -26.38 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 41.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.93 -34.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 2.2 p -95.17 29.49 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -67.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.29 163.76 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -79.46 -27.57 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 83.1 m-20 -61.04 -45.07 96.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -62.73 -54.14 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -43.96 -41.32 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' GLU . 4.9 mt -62.87 -74.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' HG22 ' A' ' 66' ' ' ILE . 33.2 mt-10 -37.84 -56.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.603 ' O ' HG12 ' A' ' 66' ' ' ILE . 94.1 mt -40.91 -65.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -34.71 -35.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ILE . 7.5 mttt -83.62 -48.62 10.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -50.24 -27.33 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -47.34 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 119' ' ' ILE . 33.8 t -62.57 -54.54 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -41.08 -31.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.3 m-20 -84.38 -45.12 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -59.83 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -26.89 29.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -88.71 -33.32 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 2.3 mt -63.26 -12.99 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 52.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.14 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' SER . 2.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.441 ' SD ' ' CD2' ' A' ' 74' ' ' LEU . 6.8 tpt -56.46 -23.5 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . . . -63.06 -45.76 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -43.36 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.15 53.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CB ' ' A' ' 95' ' ' ALA . 44.0 t80 -152.66 -43.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -67.84 -39.56 83.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -59.71 -62.37 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.508 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 84.1 m-20 -106.25 117.31 33.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -40.43 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.577 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.6 mp0 -42.15 -50.94 10.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.62 ' CB ' ' CD2' ' A' ' 88' ' ' PHE . . . -51.02 -28.33 9.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.444 ' CD1' HG13 ' A' ' 11' ' ' ILE . 4.8 mt -71.78 -57.46 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.463 HD13 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.32 -51.78 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -45.4 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -41.03 -64.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.23 -49.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.554 HG21 ' CE2' ' A' ' 123' ' ' TYR . 9.1 mm -63.56 -56.2 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -50.81 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 m-30 -36.14 -53.78 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 109' ' ' PHE . 65.9 mt -48.16 -53.73 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.6 m-85 -66.03 -48.0 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.607 ' CG ' ' CG2' ' A' ' 31' ' ' THR . 0.2 OUTLIER -46.58 -50.73 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 33.4 m-85 -79.65 -62.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.92 92.61 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.456 ' CE1' HG22 ' A' ' 51' ' ' ILE . 65.4 m-85 -148.36 -63.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.3 mt -53.11 143.5 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 123' ' ' TYR . 14.4 mm -52.69 -74.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -40.84 -41.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -56.6 -50.16 72.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -70.75 -62.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.563 ' CD1' HD13 ' A' ' 71' ' ' ILE . 5.0 m-85 -38.84 -48.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.65 -37.8 85.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -53.59 -28.11 30.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.447 ' C ' ' N ' ' A' ' 128' ' ' ASP . 10.1 mt -90.89 -62.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.89 -28.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.447 ' N ' ' C ' ' A' ' 126' ' ' ILE . 28.7 m-20 -83.3 -53.16 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 28' ' ' ILE . 1.5 tt -58.23 -21.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -86.68 2.86 47.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.48 -28.4 22.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -99.09 -12.95 20.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.28 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.5 mp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -32.77 -68.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -45.9 -46.51 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -61.2 -41.71 97.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 53' ' ' ILE . 17.4 mt -62.57 -52.46 63.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -38.86 -52.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -54.08 -62.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' ND2' ' A' ' 49' ' ' ASN . 3.5 m-30 -39.74 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 100' ' ' VAL . 34.2 t80 -45.1 -26.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t30 -68.65 -40.25 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -71.21 -13.48 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.52 -71.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' SG ' ' CZ ' ' A' ' 27' ' ' PHE . 2.0 t -51.45 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.81 -85.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 p -93.95 -162.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.71 -54.77 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.64 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.18 -43.92 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -54.33 32.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD2' ' HB1' ' A' ' 85' ' ' ALA . 12.0 mt -62.92 -17.63 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.94 -27.39 33.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 m-30 -73.09 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 1.3 pt -38.33 -30.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.37 -52.1 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.8 t -57.61 -62.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 27' ' ' PHE . 20.1 m -38.81 -60.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -36.21 61.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' SER . 2.0 mm-40 -97.88 33.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -154.6 83.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -27.18 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 14.7 t -95.06 -169.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -125.58 -1.17 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -99.41 -0.52 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -13.86 21.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.66 160.63 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.33 -53.73 15.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 4.6 p -41.49 138.67 1.57 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 148.51 35.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.446 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 31.5 mt -81.86 -39.59 23.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.2 mt-10 -36.36 -57.14 1.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.97 -52.47 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ILE . 7.9 mm -44.7 -54.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -44.49 -26.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CE2' ' A' ' 13' ' ' PHE . 23.7 t-20 -75.71 -44.79 40.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' ILE . 2.7 pt -78.36 0.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.581 HG22 ' CD1' ' A' ' 109' ' ' PHE . 46.6 mt -90.3 -31.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.15 46.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -131.55 -48.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 63' ' ' ILE . 18.1 p -86.44 13.12 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.42 -64.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.83 134.9 20.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -62.31 -28.73 69.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -19.58 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -43.37 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -59.28 -35.32 73.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.74 -64.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.12 -33.09 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CG2' HD22 ' A' ' 110' ' ' LEU . 31.9 mt -63.02 -45.94 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.53 -54.18 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.19 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -62.21 -48.78 86.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HG22 ' A' ' 119' ' ' ILE . . . -52.45 -44.15 65.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 119' ' ' ILE . 29.2 t -59.99 -42.57 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -44.83 -67.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -58.94 -50.97 72.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 1.2 mm -46.02 -68.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -40.06 -40.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 75' ' ' SER . 5.0 m -67.2 -46.82 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ILE . 3.6 mt -43.01 -27.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -68.34 64.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -169.6 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 87' ' ' PHE . 40.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.446 0.165 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.468 ' HG3' ' CG2' ' A' ' 126' ' ' ILE . 4.6 mmt -105.11 -5.4 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.499 ' CB ' HD13 ' A' ' 130' ' ' ILE . . . -75.54 -43.06 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -54.88 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 89' ' ' SER . 3.5 m-30 -56.48 -101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ASN . 53.2 t80 46.45 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -40.1 -50.5 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.6 p -51.84 -41.12 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 31.9 p-10 -144.08 94.39 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -81.48 -44.19 17.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 5.6 mm-40 -35.42 -55.07 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.1 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.91 -27.86 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 99' ' ' CYS . 1.7 mt -74.02 -65.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.482 ' CD1' HD13 ' A' ' 11' ' ' ILE . 1.4 mp -45.0 -30.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.34 -41.08 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 96' ' ' ILE . 2.3 t -70.14 -62.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 14' ' ' PHE . 2.2 t -44.26 -71.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 123' ' ' TYR . 7.1 mm -37.62 -64.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 106' ' ' HIS . 22.7 t80 -45.17 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.489 ' N ' ' CD2' ' A' ' 102' ' ' TYR . 50.1 t80 -36.21 -43.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 108' ' ' GLY . 33.6 mt -67.47 -76.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.516 ' CE2' HG23 ' A' ' 119' ' ' ILE . 1.4 m-85 -35.48 -61.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -38.13 -62.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 m-85 -161.82 79.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -149.44 -103.98 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CD1' HG22 ' A' ' 51' ' ' ILE . 4.0 m-85 -124.93 -38.73 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 111.038 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.8 mt -49.77 139.06 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.606 HG21 ' CE2' ' A' ' 123' ' ' TYR . 1.4 mm -58.53 -29.95 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -29.85 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.07 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -79.55 -67.33 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.606 ' CE2' HG21 ' A' ' 119' ' ' ILE . 3.2 m-85 -42.42 -37.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -71.67 -38.87 70.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -54.47 -28.94 48.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 84' ' ' MET . 7.3 mt -91.77 -61.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.28 -25.65 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 126' ' ' ILE . 43.2 t0 -83.87 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -46.15 53.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.499 HD13 ' CB ' ' A' ' 85' ' ' ALA . 2.8 tt -60.33 -27.66 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -89.88 4.91 48.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -84.37 -41.14 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 133' ' ' TYR . 0.7 OUTLIER -91.97 -1.71 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.47 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' LYS . 4.3 mm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -37.0 -56.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.22 -53.38 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -46.81 -46.58 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 53' ' ' ILE . 12.8 mt -61.87 -45.96 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.2 mp -61.97 -59.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -29.9 -57.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CB ' HG23 ' A' ' 50' ' ' ILE . 6.3 m-30 -49.27 -64.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 27.2 t80 -60.54 -24.93 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 4.8 t-20 -57.36 -37.2 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 3.3 pt20 -85.37 37.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . . . -144.23 -77.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -126.0 124.32 40.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.323 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.3 p -128.38 -47.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 23' ' ' GLU . 77.8 p -36.88 149.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 11.0 m-70 -83.76 -61.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -43.43 -26.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' OG1' ' A' ' 20' ' ' THR . 12.8 tp10 -64.73 -48.86 73.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -45.98 -54.84 7.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 134' ' ' LEU . 7.0 mt -58.59 -36.9 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -9.62 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -85.56 -64.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.479 ' CG2' ' HB1' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -38.52 -30.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.42 -63.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' THR . 2.9 m -49.2 -56.41 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.543 HG22 ' CG ' ' A' ' 106' ' ' HIS . 3.0 m -36.96 -40.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.462 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 41.86 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -169.02 58.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -147.17 -102.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.64 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 13.8 t -124.57 -145.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 36' ' ' THR . 3.7 m-85 -107.37 -44.26 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -76.56 0.85 18.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.409 ' OG ' ' CG2' ' A' ' 36' ' ' THR . 72.9 m -87.97 -21.56 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 59.7 t -60.02 -115.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 4.7 t0 -142.09 -56.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 2.8 p -54.06 134.79 58.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 149.81 37.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.28 -32.82 33.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.536 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -41.37 -58.55 2.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.562 HG21 ' CE2' ' A' ' 103' ' ' PHE . 3.6 mm -45.3 -50.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -26.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' PRO . 16.2 t-20 -78.24 -44.3 25.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 47' ' ' ILE . 1.4 pt -74.8 -6.97 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -85.1 -28.21 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -15.68 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -53.11 -31.55 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 55' ' ' LYS . 30.9 p -100.81 -89.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' N ' ' OG1' ' A' ' 54' ' ' THR . 29.4 mmmt 40.92 44.87 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.56 166.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.4 pm0 -83.65 -33.75 25.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -52.8 -54.86 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 54' ' ' THR . 24.3 mm-40 -64.63 -47.1 79.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 111' ' ' LYS . 13.5 tt0 -53.02 -39.82 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.96 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -28.17 65.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 110' ' ' LEU . 44.7 mt -69.61 -43.22 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.7 -56.86 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.63 74.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -47.95 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.12 86.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 119' ' ' ILE . 44.0 t -60.46 -40.13 83.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -45.52 -26.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' VAL . 7.8 m-80 -99.94 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -53.42 -46.18 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -57.84 -31.96 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.65 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.402 ' CD1' ' HE1' ' A' ' 84' ' ' MET . 2.0 mt -54.75 -31.35 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 98.1 p -73.61 58.49 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.509 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -170.4 -37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 HG12 ' CG ' ' A' ' 87' ' ' PHE . 22.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.589 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 7.2 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.512 0.196 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.637 ' CE ' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -74.53 -31.27 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . . . -54.0 -45.34 71.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -69.95 -22.8 63.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CG ' HG12 ' A' ' 77' ' ' VAL . 2.1 t80 -90.25 44.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 84' ' ' MET . 5.4 m-85 -130.95 -41.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 t -46.0 -46.87 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 30.0 p -68.92 -67.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.523 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 4.5 m-20 -84.82 97.2 9.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.445 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -89.14 -44.57 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 9.0 mt-10 -42.35 -48.74 12.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.04 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.09 -35.35 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.431 ' CG2' ' CG1' ' A' ' 11' ' ' ILE . 2.7 mt -67.53 -53.29 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CD1' ' HE2' ' A' ' 7' ' ' LYS . 1.5 mp -60.94 -43.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.637 ' CZ ' ' CE ' ' A' ' 84' ' ' MET . 1.1 m-85 -43.6 -63.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.69 -53.66 14.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 14' ' ' PHE . 2.0 t -50.54 -76.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 123' ' ' TYR . 2.9 mm -44.4 -62.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.762 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 92.5 t80 -31.82 -59.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE2' HG21 ' A' ' 47' ' ' ILE . 11.9 t80 -57.4 -47.73 80.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 22.7 mt -48.97 -34.6 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 8.8 m-85 -87.98 -60.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.762 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 1.1 m-70 -39.12 -58.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 51.7 m-85 -162.78 77.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.72 -106.54 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 51' ' ' ILE . 7.7 m-85 -127.35 -35.0 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 4.1 mt -48.7 156.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 22.7 mttt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 123' ' ' TYR . 7.5 mm -48.92 -70.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ILE . 11.0 ttpp -38.02 -44.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -51.99 54.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.71 -65.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 119' ' ' ILE . 1.7 m-85 -38.02 -49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.46 -38.22 77.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -52.96 -29.51 29.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.434 ' C ' ' N ' ' A' ' 128' ' ' ASP . 3.9 mt -92.93 -55.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 28' ' ' ILE . . . -41.74 -27.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 131' ' ' ALA . 5.4 t0 -89.27 -60.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -51.41 -35.3 38.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 133' ' ' TYR . 1.5 tt -65.96 -23.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 134' ' ' LEU . . . -75.57 2.08 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.6 -49.43 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 83' ' ' TYR . 6.3 p90 -108.54 37.79 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.498 ' CD2' ' CD1' ' A' ' 25' ' ' LEU . 4.0 mt -91.17 -81.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.8 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.4 -53.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.43 75.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -53.94 -46.6 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.68 -41.98 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.4 mp -62.02 -64.1 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -38.02 -48.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.3 m-85 -57.02 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -44.21 -29.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.55 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 t30 -59.98 -34.66 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.0 mm-40 -71.93 -7.42 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . . . -98.27 -81.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.613 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 28.6 p -96.53 145.66 25.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 99.1 p -132.79 -45.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 5.1 p -37.22 152.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -40.75 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASP . 3.2 mm-40 -78.76 3.23 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -26.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.17 -64.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD2' ' HB1' ' A' ' 85' ' ' ALA . 14.3 mt -54.86 -22.36 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 30' ' ' SER . 69.2 m-20 -85.49 -22.71 28.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.778 ' CD1' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -76.45 -48.04 20.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.592 HG23 ' CZ ' ' A' ' 27' ' ' PHE . 4.6 pt -52.23 -31.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.48 -59.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 72.7 m -48.07 -50.64 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.55 HG21 ' CD2' ' A' ' 106' ' ' HIS . 57.6 m -63.31 -8.38 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -138.39 31.01 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 2.8 tt0 -171.28 74.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HG ' ' N ' ' A' ' 35' ' ' ASP . 38.9 t -158.31 -104.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' HG ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -172.34 -54.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.3 t -126.54 -163.75 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 26.3 m-85 -99.4 -23.49 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -86.99 6.02 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -102.11 -33.06 9.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.065 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 56.8 t -44.75 165.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 8.7 t70 -79.92 63.71 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 5.0 p -174.82 132.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.98 143.07 28.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 38.1 mt -82.09 -15.13 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -58.26 -58.92 15.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.98 -43.76 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.578 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.4 mm -51.42 -40.65 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -59.79 -16.56 29.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 t30 -88.49 -33.88 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -84.53 -14.74 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.9 mt -79.12 -23.06 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 4.8 pt-20 -66.36 -19.14 65.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -51.04 -28.98 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.574 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 8.4 p -105.39 23.39 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -58.59 -57.31 13.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.02 154.7 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.29 -32.89 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.6 -33.15 69.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 85.7 mm-40 -64.87 -55.63 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -43.61 -48.2 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' GLU . 2.5 mt -56.17 -74.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 66' ' ' ILE . 2.2 mm-40 -37.74 -57.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.582 ' O ' HG12 ' A' ' 66' ' ' ILE . 90.0 mt -40.24 -63.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -35.04 -36.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.59 -47.05 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -53.57 -25.74 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 119' ' ' ILE . . . -79.33 -48.18 14.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 119' ' ' ILE . 47.3 t -59.22 -48.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.3 t-20 -39.26 -42.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' THR . 62.0 t30 -81.91 -57.5 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -42.94 -54.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -43.34 17.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -68.32 -33.59 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 126' ' ' ILE . 3.5 mt -58.43 -17.5 21.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.1 m -86.06 46.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.08 -67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.51 HG12 ' CG ' ' A' ' 87' ' ' PHE . 3.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 133' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.472 0.177 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 17.5 mmt -73.48 -3.96 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' A' ' 130' ' ' ILE . . . -73.7 -45.01 54.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . 32.1 t -60.64 -52.35 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CG ' HG12 ' A' ' 77' ' ' VAL . 9.5 t80 -45.23 -45.13 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.1 m-85 -65.69 -25.69 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.4 t -76.74 -51.28 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.0 p -50.78 -44.0 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 40.5 m-80 -121.36 100.91 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 38.4 m -87.48 -13.44 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -69.0 -51.75 17.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -39.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.71 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 92' ' ' SER . 13.0 mt -67.48 -62.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -46.27 -50.88 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.721 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -65.17 -23.71 67.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -60.99 -40.98 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 50' ' ' ILE . 2.1 t -72.35 -36.42 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.509 HD13 ' CG1' ' A' ' 66' ' ' ILE . 36.4 mm -54.38 -69.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.778 ' CZ ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -44.29 -49.97 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.673 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 1.9 t80 -44.06 -65.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' PHE . 5.0 mt -44.0 -56.73 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.4 m-85 -54.84 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 31' ' ' THR . 14.9 m80 -47.66 -43.61 26.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 37' ' ' PHE . 11.1 m-85 -86.63 24.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 39.64 73.29 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -138.36 -47.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -69.81 132.36 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 119' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.601 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 8.2 mm -52.27 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -40.2 -34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -70.99 -51.22 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.47 ' CB ' HD11 ' A' ' 71' ' ' ILE . . . -55.16 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.721 ' CD1' ' CE1' ' A' ' 98' ' ' PHE . 6.7 m-85 -41.18 -44.97 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -37.32 84.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.06 -31.98 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 74' ' ' LEU . 8.9 mt -87.6 -60.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 130' ' ' ILE . . . -41.06 -29.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 126' ' ' ILE . 3.8 t70 -82.01 -49.61 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 126' ' ' ILE . 2.5 t-20 -62.47 -53.25 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.477 HD12 ' CB ' ' A' ' 85' ' ' ALA . 3.9 tt -56.58 -32.69 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.29 -4.26 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.7 t70 -84.2 -36.24 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -85.6 -23.43 27.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 30.5 mt -47.88 -79.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.959 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mm . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' CG ' HG12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.81 -43.78 18.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.5 -45.57 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.31 -39.18 60.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 53' ' ' ILE . 10.8 mt -60.47 -58.93 6.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.445 ' CD1' ' HE3' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -42.44 -57.78 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -38.43 -62.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 21.1 m-85 -55.63 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -39.77 -45.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -50.59 -44.75 57.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 8.5 pt20 -85.83 43.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.95 -74.21 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.04 128.49 56.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -110.59 -58.03 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.8 p -37.33 155.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -100.18 -58.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -45.09 -28.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -51.47 -34.46 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.44 -60.41 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 6.7 mt -53.69 -23.1 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.1 -25.58 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -70.17 -57.49 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -39.39 -29.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -90.25 -70.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -38.96 -47.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 14.7 m -36.19 -46.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -116.0 40.66 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -156.38 46.71 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -127.23 -106.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.85 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.586 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 11.1 t -112.67 -19.15 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 78.33 -40.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.37 -9.32 32.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -21.6 23.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 27' ' ' PHE . 42.2 t -45.56 158.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.751 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 26.0 t0 -49.03 154.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.751 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 95.74 134.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.0 148.57 35.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.83 -12.85 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -59.93 -56.6 34.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.95 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' ILE . 7.7 mm -43.18 -54.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -27.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.577 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.14 -42.68 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ILE . 2.5 pt -83.59 8.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 109' ' ' PHE . 1.8 mt -100.67 -25.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.27 13.61 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -93.79 -19.77 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 p -115.1 22.42 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -72.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.98 147.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -67.86 -29.93 69.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 18.1 m120 -66.17 -33.14 75.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.5 -57.26 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -46.57 -42.7 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 37.7 mt -64.09 -72.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 1.1 tt0 -46.19 -25.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.499 HG23 ' CD1' ' A' ' 110' ' ' LEU . 34.6 mt -77.19 -43.23 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -50.85 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -57.67 -36.53 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.09 -42.2 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.78 -42.44 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 119' ' ' ILE . 45.8 t -59.63 -38.93 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -50.77 -22.69 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -93.2 -40.41 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -66.88 -51.58 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.173 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -55.43 -45.83 76.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 m -66.29 -37.39 85.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 126' ' ' ILE . 2.1 mt -50.2 -33.19 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 61.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' VAL . 22.9 t -170.0 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 20.8 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.535 0.207 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.411 ' HG3' ' CD2' ' A' ' 74' ' ' LEU . 47.6 ttp -77.35 -23.76 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ALA . 29.1 t -36.68 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 89' ' ' SER . 7.5 t80 -84.14 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASN . 3.7 m-30 50.28 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -38.31 -45.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.456 ' OG1' ' CD1' ' A' ' 87' ' ' PHE . 70.2 p -61.61 -47.71 84.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.534 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 10.7 t-20 -132.91 99.18 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -82.0 -38.73 24.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.633 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 6.4 mm-40 -38.17 -52.34 3.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.633 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.96 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.51 -24.66 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 14' ' ' PHE . 13.9 mt -75.79 -58.44 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.475 HG12 ' CG ' ' A' ' 7' ' ' LYS . 1.3 mp -56.91 -41.27 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.623 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 9.6 m-30 -62.98 -60.56 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.448 ' SG ' ' NH1' ' A' ' 24' ' ' ARG . 4.8 m -41.5 -57.36 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' HD11 ' A' ' 50' ' ' ILE . 1.6 t -45.89 -44.86 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.537 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 2.6 mm -65.9 -43.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.816 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 8.1 m-85 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' PHE . 1.5 t80 -48.71 -38.82 22.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 108' ' ' GLY . 12.9 mt -68.66 -75.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.639 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 4.2 m-85 -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 42.6 m170 -56.47 -51.39 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 30.2 p90 -170.49 67.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -135.37 -108.64 0.97 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 51' ' ' ILE . 10.0 m-85 -129.74 -37.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.639 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 2.5 mt -48.18 149.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.483 ' CG2' ' HG2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 123' ' ' TYR . 12.5 mm -64.73 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 12.7 ptmm? -37.13 -33.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.99 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.6 -61.54 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.816 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.6 m-85 -36.46 -43.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.68 -42.86 60.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.47 -29.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 74' ' ' LEU . 19.1 mt -93.51 -63.48 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -88.1 -58.13 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -48.82 -45.76 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.57 ' HA ' ' CE2' ' A' ' 133' ' ' TYR . 8.3 tt -56.52 -28.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.14 -2.96 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -86.81 -26.1 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -95.88 -24.48 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.84 -69.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.579 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.4 mm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' CE ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -59.96 -40.68 89.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.98 -29.59 69.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -70.87 -25.33 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 9.1 mt -73.32 -44.93 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.6 mp -60.36 -66.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -36.31 -49.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 1.5 m-85 -57.44 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -42.28 -36.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.0 t-20 -52.54 -36.78 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.8 mt-30 -71.08 -4.94 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.68 -77.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -129.54 97.45 4.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.4 p -100.93 -56.97 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' SER . 2.5 p -38.54 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.6 m170 -71.77 -64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -38.62 -45.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -47.87 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 0.6 OUTLIER -50.56 -63.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 15.7 mt -54.42 -20.2 7.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.17 -28.9 48.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ILE . 72.5 t80 -74.61 -65.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.571 HG23 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -34.85 -36.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -80.17 -59.55 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' THR . 26.0 p -44.26 -54.71 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.563 ' CG2' ' HB2' ' A' ' 106' ' ' HIS . 14.6 m -36.31 -45.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.95 31.53 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 1.2 tt0 -169.22 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -112.27 -93.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -169.88 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -121.02 -156.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 5.1 m-85 -133.39 5.92 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 1.1 t -137.44 25.07 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.75 18.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 41.9 t -58.46 164.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 28.5 t70 -39.2 -55.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.1 p -59.0 132.9 87.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 148.82 35.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 38' ' ' SER . 26.5 mt -82.19 -33.36 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -41.35 -58.28 3.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.03 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.702 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 9.1 mm -46.19 -54.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.83 -24.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -77.28 -42.97 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.497 HD11 ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -72.46 -29.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG21 ' CE1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -54.77 -26.62 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.89 -11.64 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CG2' HG22 ' A' ' 54' ' ' THR . 2.5 tp -63.39 -40.09 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.477 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 11.5 p -105.1 22.85 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -49.88 -52.56 31.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.57 167.95 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -51.02 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' GLN . 26.2 p30 -49.42 -25.62 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.68 -51.71 38.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.02 -45.1 42.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -63.38 -63.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -26.52 16.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.483 HG21 ' CD1' ' A' ' 101' ' ' ILE . 19.2 mt -68.27 -49.67 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.82 -54.51 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -39.01 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.471 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mt -58.11 -45.99 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 119' ' ' ILE . . . -53.95 -47.81 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 119' ' ' ILE . 36.4 t -53.29 -50.57 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 59.4 t30 -36.52 -54.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -80.4 -56.59 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.57 HD13 ' CD1' ' A' ' 123' ' ' TYR . 1.4 mm -38.8 -62.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -44.46 -43.08 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ASN . 34.6 m -70.02 -34.58 73.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 126' ' ' ILE . 1.4 mt -53.38 -20.24 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.0 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' A' ' 87' ' ' PHE . 82.7 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 18.1 m-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.515 0.198 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 ttp -53.45 -36.37 61.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -45.01 -45.31 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.38 95.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CD2' HG11 ' A' ' 77' ' ' VAL . 2.4 t80 -80.62 50.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 2.2 t80 -140.36 -43.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -51.48 21.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -81.36 -36.78 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 m-20 -108.82 77.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.6 p -90.65 -51.55 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -47.15 -47.62 55.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.98 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.01 -18.21 22.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 2.9 mt -78.26 -66.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.455 HD13 ' CE ' ' A' ' 7' ' ' LYS . 1.4 mp -39.55 -42.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 5.4 m-30 -68.96 -45.33 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.501 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.8 t -46.99 -55.06 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.33 -52.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.6 HG21 ' CE2' ' A' ' 123' ' ' TYR . 11.8 mm -49.58 -65.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CE2' HG23 ' A' ' 28' ' ' ILE . 8.5 t80 -39.44 -45.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -62.78 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 11.4 mt -39.28 -30.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 4.9 m-85 -83.9 -46.32 12.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.701 ' O ' ' CD1' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -39.72 -61.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.648 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 27.0 m-85 -165.84 35.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.86 -106.77 2.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CE1' HG21 ' A' ' 51' ' ' ILE . 8.7 m-85 -125.03 -34.64 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.9 mt -48.5 137.59 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.8 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.413 HG13 HD13 ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.614 HG23 ' CE2' ' A' ' 123' ' ' TYR . 1.3 mm -60.72 -28.29 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -29.28 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.75 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -79.33 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.614 ' CE2' HG23 ' A' ' 119' ' ' ILE . 7.8 m-85 -41.97 -36.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -72.9 -39.7 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.32 -27.09 44.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 74' ' ' LEU . 9.0 mt -94.01 -59.81 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.52 -26.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' ALA . 24.8 t0 -86.89 -62.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -48.71 -45.36 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.504 HD11 ' CB ' ' A' ' 85' ' ' ALA . 6.1 tt -59.61 -28.0 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -87.01 2.22 50.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -85.22 -46.61 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.531 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 1.3 p90 -88.57 3.29 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.21 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' LYS . 26.6 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.92 -51.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.01 -51.55 67.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.49 -39.85 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ILE . 12.3 mt -64.07 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -39.56 -61.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.13 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CB ' HG23 ' A' ' 50' ' ' ILE . 19.5 m-30 -36.87 -67.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.05 -40.95 24.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.77 -43.93 90.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -85.64 45.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -153.77 -77.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.1 t -106.25 109.85 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.244 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -102.62 -48.81 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' SER . 39.9 p -36.01 154.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLU . 3.0 m80 -97.68 -83.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' HIS . 58.0 mt-30 -36.37 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -40.26 -50.18 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 7.3 mtm-85 -44.79 -64.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 85' ' ' ALA . 5.5 mt -48.5 -23.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -82.15 -38.5 24.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' ILE . 7.3 m-30 -59.54 -61.91 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' PHE . 1.9 pt -35.08 -35.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' PHE . 5.3 t -90.62 -73.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -37.12 -33.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 106' ' ' HIS . 23.8 m -77.75 47.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 22.69 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 90.0 p -117.55 -101.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' N ' ' OG ' ' A' ' 34' ' ' SER . 1.3 t0 -171.05 -51.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 8.3 t -127.04 -145.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.5 ' N ' ' CG2' ' A' ' 36' ' ' THR . 2.2 m-85 -118.67 -40.66 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.458 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.62 -9.08 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -88.23 -25.18 23.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 88.1 t -67.14 -110.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.599 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 7.6 t0 -144.26 -156.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.599 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 4.2 p 56.01 138.38 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 146.45 32.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 38' ' ' SER . 19.2 mt -82.9 -14.33 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.84 -58.25 20.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.94 -43.51 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 50' ' ' ILE . 11.6 mm -49.22 -48.52 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.96 -21.03 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 5.0 t-20 -79.11 -41.64 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 HG23 ' CB ' ' A' ' 13' ' ' PHE . 5.3 pt -82.55 1.89 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.458 ' CD1' ' HA2' ' A' ' 108' ' ' GLY . 1.9 mt -97.05 -21.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -83.92 37.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -116.2 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.488 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 3.0 p -96.77 -0.72 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -54.09 -52.52 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' GLN . 7.9 m-20 -56.84 168.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -84.34 -51.29 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.7 m-20 -56.77 -31.0 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 14.2 mm-40 -62.54 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -39.51 -43.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.5 -51.04 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.73 -28.77 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CD1' ' CG2' ' A' ' 54' ' ' THR . 75.1 mt -74.92 -43.54 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.83 -59.41 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -55.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.48 -42.56 54.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.5 t -66.67 -32.83 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.58 -33.02 74.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -89.61 -17.03 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -88.33 -51.63 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -46.97 -27.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 m -83.82 -36.06 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ILE . 9.9 mt -60.08 -22.22 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -1.2 23.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.7 p -144.24 60.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 74' ' ' LEU . 56.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.18 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.482 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 7.0 tmm? -59.02 -15.91 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 25' ' ' LEU . . . -70.0 -53.04 19.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -13.18 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -88.97 39.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 8.3 t80 -138.34 -46.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.1 t -61.4 -29.52 69.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 31.3 p -64.06 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.471 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 3.4 m120 -119.47 123.89 45.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -43.87 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -37.17 -53.16 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -74.98 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -49.53 -25.19 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 92' ' ' SER . 1.1 mp -78.34 -59.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.473 ' O ' ' CG1' ' A' ' 101' ' ' ILE . 1.5 mp -59.52 -26.29 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.805 ' CE2' ' CE1' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -64.43 -60.6 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 2.1 t -40.25 -50.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 10.8 mm -61.84 -64.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.809 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -37.02 -59.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.594 ' O ' ' C ' ' A' ' 104' ' ' LEU . 15.7 m-85 -59.04 -62.25 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 103' ' ' PHE . 1.8 mt -23.61 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.602 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 35.3 m-85 -62.26 -65.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 31' ' ' THR . 40.9 m170 -100.75 49.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -172.8 -61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.603 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . -84.05 -106.43 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 69.1 m-85 -165.52 67.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.602 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.6 mt -100.02 138.5 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.526 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 7.1 mm -45.19 -64.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 119' ' ' ILE . 1.6 ttpt -35.44 -40.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -59.13 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -53.53 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.809 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 6.6 m-30 -45.62 -25.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.93 -35.86 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -67.8 -19.52 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.352 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.482 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.2 mt -97.09 -54.28 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.04 -25.91 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 131' ' ' ALA . 15.0 t0 -90.73 -59.33 2.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -50.08 -38.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 85' ' ' ALA . 1.2 tt -66.05 -27.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -83.28 5.62 22.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.73 -25.09 21.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.28 -11.71 19.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.11 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -47.69 -44.04 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.24 -47.12 87.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.39 -38.04 40.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 53' ' ' ILE . 12.1 mt -63.47 -47.03 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.488 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.71 -60.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.49 -58.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 m-85 -51.11 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 51.8 t80 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -41.11 -39.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.2 mm-40 -85.31 43.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -153.69 -70.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.496 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 11.9 t -144.32 92.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.05 -20.28 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 p -43.59 161.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -100.05 -69.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -42.03 -34.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -49.24 -36.3 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mtt85 -56.77 -47.26 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 5.8 mt -64.7 -28.61 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -15.05 40.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 1.4 t80 -83.23 -58.89 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.523 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -39.84 -29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 27' ' ' PHE . 34.7 t -85.59 -70.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -42.05 -43.76 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.6 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 21.0 m -48.38 -38.84 20.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -95.75 24.82 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' SER . 20.2 mm-40 -144.65 56.98 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -170.09 90.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -24.14 66.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.533 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 1.1 t -89.04 -23.04 22.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 36' ' ' THR . 2.8 m-85 76.51 -47.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -16.46 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -25.72 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.33 153.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.606 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 4.7 t70 -59.57 -165.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.606 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 5.3 p 55.28 141.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 149.41 36.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LYS . 38.0 mt -82.21 -41.23 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 1.5 mt-10 -35.04 -56.63 0.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.501 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.97 -51.54 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 20.5 mm -49.49 -37.22 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' CE ' ' HA ' ' A' ' 45' ' ' GLU . 52.7 mtmt -60.57 -16.0 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.3 t-20 -87.79 -40.12 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 47' ' ' ILE . 3.3 pt -80.45 -0.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.438 HG22 ' CE1' ' A' ' 109' ' ' PHE . 19.7 mt -89.12 -23.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -12.46 60.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' CD1' HD21 ' A' ' 10' ' ' LEU . 1.2 tp -58.07 -35.29 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 63' ' ' ILE . 7.1 p -100.51 20.57 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -67.7 -47.74 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -76.55 154.82 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 1.1 pm0 -75.13 -27.24 59.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -72.4 -15.88 61.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.08 -58.05 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 14.3 pt20 -47.73 -42.56 25.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' THR . 19.0 mt -59.7 -75.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -30.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.491 ' CG2' HD13 ' A' ' 110' ' ' LEU . 41.5 mt -72.19 -49.42 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -44.12 -62.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -43.76 88.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.24 -47.64 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -56.14 -43.48 78.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 t -68.87 -39.26 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -41.57 -31.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -99.62 -48.86 4.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -46.72 -49.32 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -56.54 -33.73 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -80.17 -32.93 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -59.31 -16.92 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 37.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.17 31.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.955 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 133' ' ' TYR . 13.2 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.567 0.222 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 88' ' ' PHE . 2.3 ttt -38.37 -33.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -44.18 -41.78 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -59.41 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -75.0 54.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 1.5 m-85 -155.06 -45.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 29.8 p -62.58 -62.41 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.437 ' N ' ' OG1' ' A' ' 90' ' ' THR . 2.5 m-80 -94.23 99.36 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' ILE . 39.2 p -85.74 -41.03 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -44.16 -55.83 8.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . . . -54.25 -20.37 6.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 4.4 mt -78.93 -63.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -46.08 -42.03 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CE1' ' OH ' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -64.13 -42.67 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.19 -38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.84 -44.73 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.578 HG22 ' CE2' ' A' ' 123' ' ' TYR . 5.7 mm -58.84 -55.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -48.72 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.78 -40.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.73 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CD2' HD12 ' A' ' 110' ' ' LEU . 12.1 m-85 -50.24 -59.71 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 5.9 m-70 -40.11 -64.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.433 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 5.0 m-30 -50.97 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.69 59.18 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CE1' HG22 ' A' ' 51' ' ' ILE . 3.7 m-85 -127.06 -52.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 105' ' ' TYR . 1.4 mt -62.76 144.38 56.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 23.8 mm -40.24 -52.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -45.79 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.7 tmtt? -53.56 -54.17 41.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -64.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 3.9 m-85 -39.94 -39.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -39.21 47.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -49.55 -29.65 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.455 ' C ' ' N ' ' A' ' 128' ' ' ASP . 13.8 mt -89.91 -64.13 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.6 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 25.8 t70 -86.17 -51.32 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 7.9 m-20 -55.87 -47.55 77.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.492 HD11 ' CB ' ' A' ' 85' ' ' ALA . 5.4 tt -58.39 -40.04 76.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.53 -7.59 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 5.6 t70 -79.31 -19.41 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -104.47 -41.06 5.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 65.1 mt -48.28 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.964 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' GLN . 36.0 mm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.14 -41.99 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -43.17 98.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -59.0 -33.32 70.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.08 -44.81 83.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.3 mp -57.44 -69.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -39.25 -58.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 6.3 m-30 -45.82 -89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -41.48 -44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 16.8 t-20 -48.62 -41.1 29.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 mm-40 -85.17 46.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -152.52 -70.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 25.3 p -63.65 -141.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.428 ' CA ' ' HB2' ' A' ' 23' ' ' GLU . 3.5 m -164.65 71.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.8 p 47.99 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 89' ' ' SER . 6.9 m80 -42.37 -51.92 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' HIS . 19.6 mt-30 -34.17 -50.69 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -46.53 -55.8 6.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 12.0 mt -60.77 -25.05 66.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 m-20 -88.91 -10.39 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.618 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 40.8 t80 -89.33 -57.72 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -40.66 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ARG . 42.5 t -85.64 -70.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.485 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -42.67 -57.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.618 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 87.7 m -49.47 -32.1 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 tpt180 -83.0 -24.15 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 3.7 pt-20 -116.11 42.89 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -155.17 84.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.63 -34.85 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -88.9 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 36' ' ' THR . 11.3 m-85 -120.26 -39.53 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.79 -11.56 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -78.68 -34.11 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 85.8 t -57.85 148.54 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -54.3 48.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 40' ' ' VAL . 8.3 p -46.37 138.44 6.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.03 143.01 28.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 8.8 mt -81.72 -10.78 59.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.0 mm-40 -62.44 -60.2 10.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -41.16 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 16.7 mm -52.72 -40.21 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -63.11 -12.79 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.05 -32.58 16.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 5.1 pt -88.48 -12.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.38 -24.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 42.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -113.4 -37.7 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' CD1' ' A' ' 63' ' ' ILE . 7.3 p -92.44 21.05 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -66.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -52.04 139.05 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -64.3 -27.36 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -70.25 -34.53 72.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -67.98 -49.3 62.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' THR . 12.2 mt-30 -55.19 -41.7 72.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -66.68 -54.77 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.01 -27.27 66.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 54' ' ' THR . 17.0 mt -73.04 -47.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -57.91 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.09 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 mt -45.37 -44.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 71' ' ' ILE . . . -59.34 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 t -63.64 -30.24 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.23 -35.26 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.83 -27.33 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.588 ' CG1' ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -76.45 -49.66 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -46.04 -31.33 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.5 m -77.13 -37.21 54.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ILE . 6.4 mt -59.16 -16.57 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -83.0 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.75 -73.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.967 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.491 0.186 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' PHE . 16.3 mmt -55.79 -36.0 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.481 ' CB ' HD12 ' A' ' 130' ' ' ILE . . . -49.12 -41.52 36.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -24.65 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' MET . 18.9 t80 -89.95 52.03 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CE1' ' NH2' ' A' ' 24' ' ' ARG . 91.4 m-85 -157.88 -40.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 30.8 t -46.7 -54.27 9.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.2 p -72.63 -53.97 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.51 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.2 t-20 -83.34 89.6 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.428 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -88.84 -48.24 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.686 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.3 mt-10 -38.98 -51.48 4.02 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.686 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.0 -48.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.79 -43.54 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 92' ' ' SER . 1.5 mp -59.76 -56.48 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.415 HD11 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -60.41 -64.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.0 t80 -41.46 -42.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.32 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 50' ' ' ILE . 2.2 t -48.18 -41.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.518 HG23 ' CE2' ' A' ' 105' ' ' TYR . 17.8 mm -56.63 -52.52 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 88.9 t80 -61.36 -58.49 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -38.98 -51.04 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' A' ' 103' ' ' PHE . 7.5 mt -61.89 -69.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 3.8 m-85 -39.48 -57.63 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.604 ' CE1' ' CZ ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -50.86 -59.72 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 40' ' ' VAL . 3.2 m-85 -55.55 -61.77 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.49 66.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -134.66 -53.71 0.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -59.74 132.05 52.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.508 ' CG1' ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 6.3 mm -58.34 -64.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' N ' ' C ' ' A' ' 119' ' ' ILE . 35.8 tptt -72.68 -65.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -50.93 -64.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.649 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 4.9 m-85 -38.68 -49.46 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -69.86 -36.0 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.84 -27.52 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 128' ' ' ASP . 7.8 mt -91.88 -60.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -38.18 -31.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.5 t0 -87.74 -63.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 23.2 m-20 -44.9 -48.28 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 133' ' ' TYR . 1.3 tt -54.79 -37.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -71.95 -5.35 34.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 3.5 t70 -82.82 -28.37 30.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -92.85 -35.42 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.3 mt -53.31 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 45.6 mm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' ILE . 1.9 tptt -38.58 -48.88 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -52.7 -55.98 18.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.57 -48.63 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.859 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 25.3 mt -46.55 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.2 mp -27.27 -57.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -33.09 -56.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.034 ' O ' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -56.53 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 2.6 t80 19.11 -63.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 1.034 ' N ' ' O ' ' A' ' 13' ' ' PHE . 10.4 t30 -46.96 -37.46 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 12' ' ' SER . 5.7 mm-40 -74.16 -30.31 62.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -66.04 -71.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.29 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.313 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -87.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 p -55.67 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -89.27 -49.07 6.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -49.35 -23.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.81 -40.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 88' ' ' PHE . 1.3 mpp_? -57.66 -62.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.34 -20.75 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -30.11 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CE1' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -69.31 -68.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.494 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 3.4 pt -35.19 -35.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' PHE . 15.5 t -84.99 -60.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -44.94 -45.17 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 106' ' ' HIS . 23.4 m -51.77 -34.27 38.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -93.44 10.39 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -143.07 56.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m -170.28 90.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -24.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -115.62 -167.37 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.792 ' CD1' ' CE2' ' A' ' 107' ' ' PHE . 9.1 m-85 -113.77 -20.46 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -2.53 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -91.44 -40.34 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.54 ' CG1' ' CE1' ' A' ' 27' ' ' PHE . 58.0 t -51.29 146.32 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 40' ' ' VAL . 12.5 t0 -71.86 70.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.3 p -175.12 141.53 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.5 Cg_endo -74.95 150.67 38.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 18.3 mt -81.87 -41.15 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -35.0 -57.59 0.79 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.02 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' ILE . 15.3 mm -44.65 -55.66 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 7.4 mttp -46.58 -26.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.9 t-20 -75.4 -40.5 57.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -76.64 -2.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mt -93.72 -25.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.4 29.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.58 -34.14 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 p -97.5 22.81 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 14.6 pttt -62.71 -55.5 26.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 78.2 m-20 -66.59 158.84 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -83.89 -26.35 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -72.31 -13.4 61.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -53.02 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -52.82 -36.96 59.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -64.64 -65.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 12.8 mt-10 -56.82 -25.41 55.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 110' ' ' LEU . 9.3 mt -71.54 -48.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -59.4 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.11 92.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 9.2 mt -57.15 -39.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 70' ' ' ASN . 54.9 t -62.75 -32.53 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -50.68 -22.51 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.2 m-80 -97.36 -39.75 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -63.14 -51.93 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.77 -40.81 66.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -74.43 -33.07 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 126' ' ' ILE . 4.0 mt -61.97 -14.21 32.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -89.84 37.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 t -169.23 32.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.989 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 53.8 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.489 0.185 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.99 -20.47 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' N ' HD13 ' A' ' 130' ' ' ILE . . . -64.68 -44.5 90.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -43.49 95.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 91' ' ' ASN . 4.5 t80 -71.07 -16.82 62.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -61.99 -29.62 70.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.4 t -73.93 -56.41 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 p -67.25 -34.54 77.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.449 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 3.0 m120 -125.08 70.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ILE . 79.1 p -82.93 -31.35 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -46.54 -57.91 7.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.1 Cg_endo -75.03 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.593 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . . . -58.7 -18.43 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' SER . 6.3 mt -81.67 -66.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.5 mp -46.17 -46.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 3.3 t80 -58.7 -49.82 76.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . 11.4 t -41.62 -43.24 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.3 t -73.84 -53.2 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.441 HG23 ' CE2' ' A' ' 123' ' ' TYR . 8.8 mm -45.37 -38.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 28' ' ' ILE . 42.1 t80 -68.58 -70.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.61 ' CE2' ' CE2' ' A' ' 107' ' ' PHE . 2.9 t80 -35.96 -44.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLY . 51.4 mt -58.56 -67.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 7.8 m-85 -44.96 -58.63 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.503 ' CG ' HG22 ' A' ' 31' ' ' THR . 37.6 t-80 -45.78 -51.03 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.659 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 4.3 m-85 -69.28 -22.67 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 87.3 68.46 1.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -124.29 -53.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.7 mt -61.31 153.48 26.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.8 mm -42.31 -66.65 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -40.49 -50.12 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -53.03 -52.79 57.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.33 -64.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.781 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 4.1 m-85 -44.69 -30.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -79.71 -36.5 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -60.38 -24.84 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' C ' ' N ' ' A' ' 128' ' ' ASP . 5.2 mt -95.38 -58.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 102' ' ' TYR . . . -43.68 -27.69 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 33.9 t70 -89.72 -58.3 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 31.0 t30 -49.33 -45.76 45.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 85' ' ' ALA . 4.5 tt -56.16 -25.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -82.54 6.01 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 19.2 t0 -74.81 -35.74 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 1.1 p90 -103.83 7.82 37.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.459 0.171 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -175.75 177.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.03 158.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 2' ' ' GLU . 9.5 p30 174.61 169.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' ILE . 12.8 p-10 177.36 -151.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' LYS . 44.4 mm -37.28 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' ILE . 5.3 tptt -37.19 -55.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 4' ' ' ASN . 2.5 tm-20 -56.23 -50.75 70.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.7 mt-30 -46.76 -39.72 12.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' CD2' HD13 ' A' ' 53' ' ' ILE . 9.5 mt -67.93 -58.3 4.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.3 mp -47.59 -63.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -37.24 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 22.7 m-30 -40.67 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -44.22 -52.72 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.71 -30.61 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -90.44 31.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.54 -72.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.48 -164.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.95 -89.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -79.73 -168.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' N ' ' A' ' 23' ' ' GLU . 72.8 m-70 -90.05 -58.07 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.579 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' GLU . 20.5 mt-30 -41.51 -27.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER -37.1 -51.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' PHE . 72.0 mtt85 -45.88 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.4 mt -50.54 -22.64 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.5 OUTLIER -83.4 -34.65 25.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ILE . 9.8 m-30 -65.17 -61.16 2.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.0 pt -32.72 -40.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' SER . 8.7 t -90.96 -71.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.513 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 20.8 t -35.1 -48.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.485 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 23.6 m -53.78 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.11 46.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -171.26 38.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -116.43 -107.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -171.1 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -104.03 -18.98 14.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 21.2 m-85 62.75 11.83 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -122.78 -1.55 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -104.73 -0.03 27.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 49.3 t -43.54 165.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 11.6 t0 -69.54 64.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 9.8 p -168.92 140.45 2.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.06 -21.75 36.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -51.85 -57.98 12.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.06 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 50' ' ' ILE . 11.8 mm -50.51 -34.17 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -27.87 66.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' PRO . 13.2 m120 -77.22 -37.77 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 47' ' ' ILE . 1.2 pt -83.59 0.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG23 ' CZ ' ' A' ' 109' ' ' PHE . 13.0 mt -101.72 -33.83 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 3.7 mt-10 -88.05 42.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -115.51 -35.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 63' ' ' ILE . 3.0 p -96.53 23.86 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -92.92 30.89 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.7 m-20 -138.37 146.65 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.4 mt-10 -52.13 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' GLU . 36.5 m-20 -37.08 -37.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 13.0 mm-40 -59.53 -62.25 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -46.39 -45.05 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 3.2 mt -63.89 -71.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.38 -30.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 54' ' ' THR . 62.1 mt -73.7 -49.38 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -43.87 -63.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.372 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -42.2 79.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -46.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.42 96.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' C ' ' N ' ' A' ' 70' ' ' ASN . 46.7 t -62.94 -40.87 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -43.55 -27.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.0 t-20 -91.37 -45.93 8.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -58.05 -50.96 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.72 -25.67 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -90.12 -32.4 16.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.66 -9.3 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 41.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.065 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -169.56 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.0 t 39.56 80.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.48 -162.8 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 -52.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 t -94.04 47.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.63 167.96 24.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.17 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.11 -62.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.606 ' CZ ' ' CD1' ' A' ' 133' ' ' TYR . 15.2 m-30 -93.65 141.72 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 31.7 mmt -76.82 -24.27 52.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -55.64 -45.71 77.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -48.05 -25.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 26.2 t80 -90.09 48.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 97.7 m-85 -163.5 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -50.97 -33.37 24.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.9 p -68.52 -68.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 73.0 m-80 -97.64 110.57 23.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.86 -43.17 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 1.8 mt-10 -39.28 -55.11 3.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.96 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.83 -23.53 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 4.1 mt -77.5 -69.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 96' ' ' ILE . 1.4 mp -40.55 -42.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' ASN . 18.6 m-85 -64.0 -54.76 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.24 -42.85 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.33 -47.19 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' PHE . 13.4 mm -54.31 -61.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 45.3 m-85 -43.64 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -35.52 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -42.49 -61.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 9.7 m-85 -53.88 -39.96 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 72.3 m-70 -60.34 -26.24 66.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 17.9 m-30 -107.65 12.14 27.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.75 64.91 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -116.84 -54.67 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.3 mt -58.83 154.16 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.11 150.55 42.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.69 104.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 114' ' ' ASN . 3.5 m120 -69.53 110.43 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER 162.27 112.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 179.67 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -178.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.15 129.79 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.52 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 1.0 OUTLIER -132.41 -156.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.52 ' N ' ' CG2' ' A' ' 118' ' ' ILE . 12.3 mm -62.24 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 121' ' ' LYS . 2.7 pttt -41.23 -29.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 119' ' ' ILE . 20.9 tptt -71.53 -57.32 4.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -62.36 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.4 m-85 -40.7 -40.03 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.24 67.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -57.14 -27.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 128' ' ' ASP . 4.1 mt -94.6 -58.08 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . . . -44.02 -27.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.2 t70 -90.17 -62.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -47.38 -43.42 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 85' ' ' ALA . 1.5 tt -59.77 -32.96 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -77.31 -0.34 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -86.38 -21.25 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.606 ' CD1' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -102.34 -23.57 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.38 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 174.63 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 47.95 44.27 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.494 0.188 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 174.2 141.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 175.65 127.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.4 m-80 62.54 137.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -53.07 -46.58 68.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 1.7 mp -56.91 -81.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' CE ' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.89 -34.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 1.1 tt0 -64.48 -52.11 59.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -52.79 -23.16 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 9' ' ' GLN . 5.2 mt -75.67 -49.02 19.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.1 mp -53.24 -64.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.8 m -42.46 -56.8 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 9' ' ' GLN . 6.4 m-30 -48.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 100' ' ' VAL . 28.1 t80 -43.8 -41.08 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 24.1 t30 -53.44 -36.03 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' PHE . 3.6 mt-30 -77.18 0.65 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -98.95 -73.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -59.83 -158.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.04 -84.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -96.65 -166.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.476 ' CD2' ' CZ ' ' A' ' 88' ' ' PHE . 5.6 m80 -79.61 -56.8 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -39.3 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 4.1 mm-40 -45.12 -43.14 9.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 19.2 mtt85 -53.08 -49.54 66.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.7 mt -71.44 -17.6 62.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -90.62 -9.19 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 8.8 m-30 -90.22 -57.69 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -41.04 -29.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' PHE . 21.1 p -90.24 -45.46 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' PHE . 31.9 t -56.64 -42.66 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -62.08 -27.23 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' A' ' 128' ' ' ASP . 0.0 OUTLIER -118.41 44.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -170.89 31.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 p -128.81 -107.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -171.03 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 13.4 t -122.78 -143.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -108.33 -37.67 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.473 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 28.1 t -72.08 -4.82 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -89.31 -36.33 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -52.47 156.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.06 -63.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -39.27 135.47 1.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.0 Cg_endo -75.06 147.59 33.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 47.4 mt -82.06 -23.94 35.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.5 mt-10 -49.3 -57.63 11.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 26.4 mm -52.23 -36.09 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.8 mttp -64.61 -12.4 45.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -90.25 -35.8 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 53' ' ' ILE . 7.2 pt -82.77 -34.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.522 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 50.0 mt -53.85 -30.54 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.24 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -111.14 -29.51 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.7 p -102.87 23.94 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -69.19 -59.4 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.91 144.92 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 61' ' ' ILE . 2.6 pm0 -68.7 -29.18 67.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 2.1 m-20 -72.66 -27.41 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.0 -34.97 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 15.8 mt -68.51 -65.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -51.75 -31.43 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CG2' HD21 ' A' ' 110' ' ' LEU . 8.8 mt -65.52 -56.21 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -41.08 -54.57 2.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 64' ' ' THR . 4.3 mttt -63.82 -48.17 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.1 mt -49.32 -47.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.99 73.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 119' ' ' ILE . 16.0 t -66.68 -49.75 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 38.4 t30 -39.16 -45.19 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' THR . 41.8 t30 -80.81 -57.42 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -42.25 -57.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -38.55 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ASN . 20.0 m -71.29 -33.78 70.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ILE . 4.7 mt -60.45 -15.32 25.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.9 48.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.54 -61.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG11 ' CD1' ' A' ' 87' ' ' PHE . 3.4 t 40.23 87.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.38 106.52 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -174.87 -73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.8 t -139.25 140.53 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 48.77 -170.45 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -143.32 39.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ALA . 64.4 m-85 -98.83 9.46 43.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 9.3 mmt 67.67 -63.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 130' ' ' ILE . . . -45.04 -46.72 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -42.88 -49.9 5.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CD1' HG11 ' A' ' 77' ' ' VAL . 2.8 t80 -36.54 -38.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 8.0 t80 -40.75 -53.87 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -40.54 -38.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 p -94.43 -50.94 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -114.19 76.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 86.6 p -89.5 -47.41 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.6 mt-10 -40.6 -50.72 6.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.04 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.26 -27.54 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 HG12 ' CZ ' ' A' ' 24' ' ' ARG . 2.3 mt -73.72 -56.92 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.46 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.1 mp -52.95 -38.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.77 ' CD1' ' CD1' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -57.73 -57.16 13.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 103' ' ' PHE . 6.8 t -47.01 -47.39 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 108.341 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -66.22 -43.33 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.471 HG21 ' CE2' ' A' ' 123' ' ' TYR . 3.4 mm -58.57 -71.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' OH ' ' CE1' ' A' ' 106' ' ' HIS . 14.0 t80 -47.27 -51.39 19.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.795 ' CE2' ' CZ ' ' A' ' 107' ' ' PHE . 9.7 t80 -45.79 -41.35 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.35 -48.18 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 11.4 m-85 -60.1 -37.78 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.574 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -70.98 -39.21 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.795 ' CZ ' ' CE2' ' A' ' 103' ' ' PHE . 3.9 m-85 -77.11 -22.28 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 109' ' ' PHE . . . 89.66 90.8 1.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 28.2 m-85 -159.55 -63.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.547 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.4 mt -51.14 146.71 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 143.55 49.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.89 107.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -46.5 163.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -47.51 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 174.78 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' LYS . 2.5 pttt 47.29 42.83 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.535 ' O ' ' C ' ' A' ' 118' ' ' ILE . 5.1 mt-30 -133.6 -108.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 117' ' ' GLN . 0.5 OUTLIER 29.81 -97.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.648 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 4.6 mm -63.83 -67.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -39.54 -55.35 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 117' ' ' GLN . 1.9 tmtt? -45.97 -45.87 15.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 119' ' ' ILE . . . -61.97 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 98' ' ' PHE . 9.6 m-85 -45.85 -32.71 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.5 -33.97 62.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.8 t -64.63 -25.74 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 2.0 mt -95.89 -54.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.64 -25.05 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.476 ' CG ' ' NH2' ' A' ' 32' ' ' ARG . 48.1 t0 -90.47 -60.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 132' ' ' ASP . 15.8 t30 -50.04 -48.13 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.471 ' CD1' ' HB1' ' A' ' 85' ' ' ALA . 8.4 tt -55.28 -19.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -86.39 10.97 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 129' ' ' ASN . 59.4 t0 -87.83 -44.58 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.3 OUTLIER -87.1 -30.91 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.6 mt -45.78 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 55.93 68.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 45.12 72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.503 0.192 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 176.59 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -141.31 67.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.5 t-20 -126.68 -68.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 2.7 m-20 156.11 -82.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.39 -53.22 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -54.64 -50.18 68.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.35 -42.35 91.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.0 mt-30 -51.7 -38.92 57.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.7 mt -64.71 -56.8 11.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -40.03 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -36.76 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 12.7 m-85 -39.32 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -43.1 -43.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -38.25 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.5 mt-30 -74.3 -1.87 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . . . -111.47 -88.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' SG ' ' CE2' ' A' ' 27' ' ' PHE . 6.6 t -112.83 92.16 3.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -92.96 -56.41 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' SER . 3.0 p -37.17 155.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' ARG . 55.2 m80 -93.1 -58.67 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -40.2 -51.21 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.02 -41.48 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -52.26 -45.64 65.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 8.1 mt -64.39 -29.96 71.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -15.9 44.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.458 ' C ' ' N ' ' A' ' 29' ' ' CYS . 3.3 m-85 -82.89 -60.68 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' N ' ' C ' ' A' ' 27' ' ' PHE . 7.4 t -90.61 -57.95 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 4.2 m -50.39 -57.77 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 29.0 m -51.34 -19.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 31.85 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -170.02 32.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -103.9 -100.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -170.31 -54.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 13.9 t -115.88 -20.39 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CG ' ' C ' ' A' ' 36' ' ' THR . 1.6 m-85 77.28 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.89 -3.63 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.951 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -132.76 44.77 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 37' ' ' PHE . 58.9 t -80.25 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 3.8 t70 -114.64 -35.7 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.487 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 7.9 p -67.49 141.27 95.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 142.95 28.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 38' ' ' SER . 61.9 mt -81.49 -25.51 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mt-10 -48.42 -58.69 7.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.4 ' CG1' ' O ' ' A' ' 43' ' ' PRO . 18.3 mm -51.85 -37.18 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.85 -16.63 51.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -35.21 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 3.1 pt -89.68 -9.25 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.504 HG21 ' CE1' ' A' ' 109' ' ' PHE . 7.2 mt -78.03 -30.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.21 46.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.04 -38.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.461 HG21 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -91.82 22.86 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -92.02 26.6 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -144.81 119.46 9.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -44.56 -33.74 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -70.09 -43.3 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mm-40 -62.08 -63.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 15.2 pt20 -42.5 -42.55 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 57' ' ' GLU . 5.2 mt -59.21 -65.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -52.04 -39.05 59.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' CG2' HD12 ' A' ' 110' ' ' LEU . 17.6 mt -56.73 -48.36 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -59.69 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.82 -35.41 76.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.5 -47.96 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.01 84.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 119' ' ' ILE . 25.1 t -59.66 -48.54 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -42.64 -31.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.74 -45.95 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -57.47 -50.25 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -49.41 -27.04 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 75' ' ' SER . 20.8 m -86.79 -45.94 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 126' ' ' ILE . 4.7 mt -47.98 -24.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' THR . 28.1 p -71.95 59.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -169.13 -40.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.422 HG12 ' CD2' ' A' ' 87' ' ' PHE . 49.5 t -39.11 117.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.15 122.46 1.91 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.28 74.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 t -113.86 139.99 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.93 120.49 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.28 72.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CD2' ' CD2' ' A' ' 133' ' ' TYR . 39.5 m-85 -63.26 177.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.549 ' HE2' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.32 -31.91 55.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 25' ' ' LEU . . . -54.66 -47.18 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.8 m -69.09 -25.91 64.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.422 ' CD2' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -88.44 38.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CE1' ' HE2' ' A' ' 84' ' ' MET . 1.2 m-85 -136.78 -51.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -47.96 -30.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.3 p -69.52 -69.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 1.8 p30 -98.75 97.08 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' HD13 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -83.27 -32.84 26.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 2.6 mt-10 -44.64 -56.78 7.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.01 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.477 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . . . -52.22 -25.34 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 92' ' ' SER . 6.2 mt -75.9 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -57.63 -52.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 2.9 t80 -53.3 -44.64 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 45.6 t -56.38 -50.7 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 108.273 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 t -51.31 -46.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.42 ' CD1' HG22 ' A' ' 63' ' ' ILE . 26.0 mm -52.16 -60.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -56.25 -61.58 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.568 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.11 -36.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.53 -68.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 110' ' ' LEU . 11.2 m-85 -38.2 -38.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 2.7 m80 -70.33 -51.95 26.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.65 -37.83 87.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.33 81.44 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 51' ' ' ILE . 26.1 m-85 -148.55 -61.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 105' ' ' TYR . 1.6 mt -58.13 146.93 31.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 140.73 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -139.28 76.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.3 -166.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -96.28 68.47 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -161.74 159.16 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 79.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -163.7 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -127.16 -95.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.668 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 6.7 mm -63.14 -65.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -44.25 -30.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -51.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -72.03 -63.12 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.668 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.6 m-85 -39.89 -38.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.3 tp10 -76.9 -39.29 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.03 -25.2 7.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.46 HD13 ' CD2' ' A' ' 74' ' ' LEU . 11.0 mt -93.42 -63.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.09 -28.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 9.7 t70 -90.41 -60.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 125' ' ' THR . 14.7 t30 -47.72 -45.16 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt -58.11 -30.94 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.96 2.99 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 25.1 t0 -86.13 -30.99 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.73 -3.71 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.72 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 63.72 48.81 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.31 69.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptt? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.476 0.179 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 175.08 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -95.97 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 66.77 -172.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -106.93 -57.81 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 15.6 mm -59.12 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.13 -46.2 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.25 -50.84 68.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.4 mt-30 -46.5 -39.89 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -51.39 62.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 1.1 mp -53.3 -60.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.25 -49.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 15.0 m-85 -67.36 -80.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -39.17 -33.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 15.4 t-20 -59.66 -49.46 77.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' PHE . 12.0 pt20 -84.13 45.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.94 -73.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.468 ' CB ' HG21 ' A' ' 42' ' ' VAL . 48.6 t -163.63 97.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -111.24 -65.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . 46.6 p 37.38 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.03 -73.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -33.27 57.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 20' ' ' THR . 6.3 tp10 -52.3 -25.26 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -72.98 -40.01 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 11.2 mt -57.81 -35.21 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -10.95 59.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 1.1 t80 -85.96 -58.04 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.497 ' C ' ' O ' ' A' ' 27' ' ' PHE . 1.2 pt -33.28 -36.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' PHE . 2.0 t -82.84 -56.46 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 108.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -44.12 -57.14 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 39.8 m -42.16 -50.1 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -90.27 35.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.0 tp10 -170.51 72.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -150.02 -102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.58 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.424 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 8.9 t -113.04 -19.98 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 1.5 m-85 63.94 9.88 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.31 -3.51 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -117.96 15.93 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.577 HG13 ' CZ ' ' A' ' 27' ' ' PHE . 83.8 t -57.09 -107.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 6.2 t0 -121.74 -62.41 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 18' ' ' CYS . 4.3 p -42.31 136.91 2.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.05 144.69 30.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 73.6 mt -81.4 -20.64 40.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.545 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -52.67 -58.99 9.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.04 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.806 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 50' ' ' ILE . 33.8 mm -52.44 -36.44 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 12.7 mtpp -63.41 -15.89 58.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -35.26 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 3.5 pt -85.61 -9.63 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.567 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 8.6 mt -80.03 -23.83 11.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.62 39.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -107.71 -30.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.457 HG23 ' CD1' ' A' ' 63' ' ' ILE . 3.6 p -100.6 20.13 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -55.18 -51.51 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.1 152.48 39.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.33 -26.01 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 m-20 -69.48 -40.85 76.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -45.46 93.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.95 -59.58 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.13 -29.26 65.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 110' ' ' LEU . 6.4 mt -66.83 -47.02 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.53 -57.4 9.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -62.53 -40.31 96.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.7 mt -56.69 -43.47 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.22 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASN . 39.0 t -63.02 -40.03 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.7 t-20 -38.5 -31.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' VAL . 3.1 t-20 -93.69 -62.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -40.16 -41.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -51.6 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ASN . 22.8 m -73.78 -32.93 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 126' ' ' ILE . 1.1 mt -59.75 -15.64 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -84.1 47.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -169.98 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 16.3 t 39.28 66.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.76 -140.88 22.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.5 -49.69 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.5 p -95.97 162.84 13.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.06 -164.11 1.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -174.31 45.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -80.09 86.36 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.54 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 11.7 tmm? -54.61 -17.34 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 130' ' ' ILE . . . -66.96 -45.3 78.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -52.51 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.89 -22.9 50.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.612 ' CD2' ' CB ' ' A' ' 95' ' ' ALA . 17.1 t80 -86.51 -16.04 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -49.83 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.5 p -69.24 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.517 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.0 m120 -79.16 98.71 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -88.1 -37.48 16.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 2.0 mt-10 -46.75 -50.55 42.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.612 ' CB ' ' CD2' ' A' ' 88' ' ' PHE . . . -50.62 -34.23 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 92' ' ' SER . 1.8 mt -66.61 -59.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -51.93 -50.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.44 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.46 -56.7 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.37 -41.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' ' 123' ' ' TYR . 5.5 mm -70.39 -45.78 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.448 ' OH ' ' CB ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -59.84 -54.22 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.803 ' CE2' ' CE1' ' A' ' 27' ' ' PHE . 1.7 m-85 -49.76 -46.79 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' TYR . 45.6 mt -56.06 -74.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 10.3 m-85 -36.86 -64.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 124' ' ' GLU . 11.2 m-70 -44.44 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 4.1 m-30 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . 126.78 97.68 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' HD12 ' A' ' 51' ' ' ILE . 46.1 m-85 -162.12 -63.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 2.3 mt -53.16 157.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -94.95 125.41 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -164.03 77.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -122.79 109.73 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -150.43 171.92 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -43.03 -56.7 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.3 154.18 39.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -55.16 159.57 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.463 ' CG1' ' N ' ' A' ' 119' ' ' ILE . 0.6 OUTLIER -126.01 -98.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 5.3 mm -62.53 -58.92 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -43.06 -31.32 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -58.02 6.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.83 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.603 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.4 m-85 -37.52 -34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.592 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 89.7 mt-10 -85.58 -42.71 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.27 -21.73 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.54 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.6 mt -95.57 -62.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 126' ' ' ILE . . . -39.76 -29.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.8 t0 -90.21 -63.84 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 36.6 m-20 -43.81 -43.56 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 3.0 tt -57.4 -41.63 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.69 -10.57 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 23.0 t0 -75.1 -44.76 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 1.3 m-30 -74.72 -46.96 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.1 mt -43.6 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 167.42 -78.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.22 82.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.1 t30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.478 0.18 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.89 -94.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.78 121.6 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -139.1 132.71 30.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' CG ' ' N ' ' A' ' 6' ' ' ILE . 9.7 t30 -172.49 -88.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.5 mm -76.51 -85.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 2.7 mmmt -35.98 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.5 tp10 -57.99 -55.87 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 3.1 pt20 -55.6 -30.62 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 11.1 mt -69.43 -41.1 76.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -58.82 -58.55 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.3 p -41.24 -52.42 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CB ' HG21 ' A' ' 50' ' ' ILE . 19.7 m-30 -50.26 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.98 -45.74 71.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.1 m-20 -54.22 -31.19 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.49 2.57 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -110.59 -78.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.66 -172.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -79.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 p -41.31 163.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.22 28.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.628 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 5.2 mt-30 -70.33 -4.84 24.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' PHE . 6.1 pt-20 -37.11 -35.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -69.26 -57.26 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.5 mt -60.85 -24.53 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.85 -21.95 21.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' GLU . 33.3 t80 -76.37 -59.54 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.22 -29.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -89.31 -58.37 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 108.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.03 -41.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 106' ' ' HIS . 45.8 m -78.4 53.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER 157.95 -23.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -98.15 31.66 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 t -134.66 -104.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.87 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.8 t -126.27 -161.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -96.64 -28.96 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -80.01 3.41 20.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -103.48 -29.7 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -54.38 153.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.17 60.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 4.6 p -164.77 133.47 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.98 149.09 36.29 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.494 1.786 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.88 -26.73 33.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.1 mt-10 -46.14 -57.4 8.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 24.5 mm -49.38 -43.78 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.65 -21.11 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.75 -42.3 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' CB ' ' A' ' 13' ' ' PHE . 3.9 pt -81.01 2.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.3 mt -98.64 -24.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -89.12 35.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.71 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.486 ' CG2' HD13 ' A' ' 63' ' ' ILE . 3.4 p -90.89 24.33 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -83.43 -27.07 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.91 131.61 34.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 58' ' ' ASN . 3.6 tt0 -45.26 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.6 m-80 -33.78 -40.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -58.63 -59.12 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 pt20 -50.37 -40.45 49.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.19 -60.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -31.92 46.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 54' ' ' THR . 14.5 mt -62.39 -41.72 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.34 -50.89 72.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -70.4 -35.14 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.09 -48.91 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.08 -45.31 71.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 119' ' ' ILE . 20.8 t -62.4 -38.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -42.26 -28.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.08 -53.41 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.538 HD12 ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -49.24 -45.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -45.43 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -75.17 -36.79 61.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -17.59 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.01 31.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.5 t -93.56 80.62 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 41.48 -137.39 2.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 176.66 -54.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.47 63.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.13 108.65 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 168.26 88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 23.1 m-85 -63.62 147.89 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -8.9 31.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.485 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -68.75 -49.64 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -35.66 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 2.4 t80 -83.81 53.01 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 3.4 m-85 -172.38 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -49.74 -45.69 49.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.2 p -69.08 -60.09 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 42.9 m-20 -89.07 106.83 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' ILE . 70.2 m -85.42 -41.99 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.1 tt0 -40.24 -52.35 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.5 Cg_endo -74.97 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.26 -21.0 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -77.72 -55.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.509 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mp -50.32 -60.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -46.43 -53.67 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' VAL . 20.3 m -59.64 -71.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' CYS . 1.7 t -38.36 -41.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.533 HG21 ' CD2' ' A' ' 105' ' ' TYR . 13.5 mm -67.44 -58.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 58.0 t80 -36.45 -63.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.416 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 4.4 t80 -52.1 -50.82 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.406 ' C ' ' HB2' ' A' ' 110' ' ' LEU . 52.4 mt -51.07 -36.32 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.533 ' CD2' HG21 ' A' ' 101' ' ' ILE . 2.0 m-85 -82.15 -58.29 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.754 ' CE1' ' CZ ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.55 -70.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 6.4 m-85 -152.57 64.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.83 -112.64 2.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.3 m-85 -131.06 -19.05 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -49.74 134.96 19.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -119.7 137.41 53.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 114' ' ' ASN . 8.5 t70 -161.6 93.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -54.85 118.0 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER 171.85 165.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -125.5 75.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' C ' ' CG ' ' A' ' 117' ' ' GLN . 6.1 mttm 68.93 -173.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.498 ' CG ' ' C ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 65.82 8.13 5.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.3 OUTLIER -112.81 -166.93 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.554 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 7.2 mm -41.27 -63.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 13.3 ttpt -39.19 -39.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.2 tptt -64.79 -61.7 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -58.74 -65.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.554 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 2.4 m-85 -40.63 -41.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.8 tt0 -75.39 -36.92 60.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -52.01 -27.52 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 16.0 mt -91.24 -63.41 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.413 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . . . -43.7 -27.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 131' ' ' ALA . 8.6 m-20 -87.88 -63.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -47.13 -44.34 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 85' ' ' ALA . 2.8 tt -65.04 -34.94 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -70.24 -7.24 40.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 12.8 t0 -80.64 -25.16 38.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -96.47 -34.94 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.542 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 54.0 mt -56.0 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 10.5 t-20 85.44 -47.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 66.2 91.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.498 0.189 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.56 165.84 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 mp0 -70.02 -93.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.9 p30 154.27 156.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 2.0 t-20 86.29 -156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' O ' ' C ' ' A' ' 7' ' ' LYS . 8.7 mm -37.16 -76.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -29.84 -52.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -55.99 -57.94 10.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.0 mt-30 -49.53 -32.85 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ILE . 14.1 mt -62.39 -59.85 4.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -38.47 -55.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -54.82 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE2' ' OD1' ' A' ' 49' ' ' ASN . 12.6 m-30 -58.73 -71.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -44.4 -53.3 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.91 -37.24 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -88.41 40.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.91 -65.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.89 -179.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.253 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.32 -73.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.7 p -85.09 -178.39 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -92.11 -37.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -74.7 -4.98 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -35.8 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -64.59 -49.46 71.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 5.6 mt -55.15 -32.98 62.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.04 -21.25 40.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CD1' ' OG1' ' A' ' 31' ' ' THR . 1.3 t80 -74.52 -60.84 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.58 -30.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -88.29 -64.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -45.61 -54.71 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.631 ' CG2' ' CG ' ' A' ' 106' ' ' HIS . 2.5 m -38.88 -42.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 33.99 5.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -170.54 60.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.56 -82.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.82 -74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 11.2 t -126.11 -150.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -103.4 -36.57 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -80.84 5.01 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -30.15 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.55 HG12 ' CZ ' ' A' ' 27' ' ' PHE . 53.7 t -45.43 164.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.597 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 1.4 t70 -65.87 -163.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.597 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 4.2 p 55.95 141.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 148.28 35.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 34.6 mt -81.73 -38.34 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -37.43 -56.96 1.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' A' ' 103' ' ' PHE . 15.4 mm -44.14 -51.48 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -29.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.58 ' OD1' ' CE2' ' A' ' 13' ' ' PHE . 4.6 t-20 -73.66 -41.61 62.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG21 ' CB ' ' A' ' 13' ' ' PHE . 1.3 pt -82.88 6.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 109' ' ' PHE . 2.7 mt -99.9 -23.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.51 39.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.409 ' CD1' HD23 ' A' ' 10' ' ' LEU . 1.1 tp -111.71 -23.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 63' ' ' ILE . 1.7 p -108.4 28.18 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -64.74 -68.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.66 148.78 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 7.0 pm0 -67.05 -27.94 67.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 16.2 t-20 -64.98 -25.84 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 38.4 mm-40 -72.66 -58.71 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -43.6 -43.47 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -64.83 -65.01 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -51.68 -27.23 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 54' ' ' THR . 65.5 mt -73.03 -54.67 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.97 -60.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -37.8 75.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -60.54 -41.72 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.93 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 119' ' ' ILE . 45.1 t -62.03 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -39.96 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 2.6 t-20 -89.66 -60.87 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.439 HG12 ' CB ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.59 -44.77 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -50.33 70.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.6 m -66.93 -33.51 75.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.96 -13.28 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.66 37.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -168.55 31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 68.0 t -91.72 -0.52 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.15 125.73 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.3 p -56.16 177.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.6 128.48 32.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.68 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 21.6 m-85 -41.42 128.62 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -71.02 -3.96 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -72.99 -46.72 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.7 -42.66 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -79.91 56.16 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' A' ' 95' ' ' ALA . 4.5 t80 -148.73 -48.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -41.2 86.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.5 p -71.22 -64.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.6 m-20 -94.04 102.59 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 56.5 m -86.83 -41.72 13.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HB3' ' HD3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -41.57 -50.67 9.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.04 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' A' ' 88' ' ' PHE . . . -53.58 -24.93 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.2 mt -74.32 -55.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.553 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -54.52 -41.51 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CE2' ' CE2' ' A' ' 102' ' ' TYR . 13.6 t80 -71.41 -23.71 61.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.443 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 52.0 t -83.65 -69.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.09 -38.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 10.4 mm -73.8 -50.35 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.609 ' CE2' ' CE2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -41.73 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 47' ' ' ILE . 10.5 t80 -50.47 -44.4 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt -49.97 -42.96 49.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -81.16 -55.49 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.631 ' CG ' ' CG2' ' A' ' 31' ' ' THR . 2.2 m80 -37.78 -60.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.591 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 87.3 m-85 -163.13 64.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.67 -108.65 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.568 ' CD1' HG21 ' A' ' 51' ' ' ILE . 7.0 m-85 -126.38 -34.43 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.587 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 3.4 mt -48.79 149.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -129.46 147.15 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -127.57 121.67 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.92 169.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' CB ' ' HG2' ' A' ' 117' ' ' GLN . 19.0 m120 58.82 -176.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -99.6 93.13 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER 36.23 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 114' ' ' ASN . 14.5 pt20 -159.43 26.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.517 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -138.71 -146.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.611 HG21 ' CE1' ' A' ' 123' ' ' TYR . 1.9 mp -38.43 -57.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -42.13 -52.35 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -54.49 34.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -58.16 -64.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.611 ' CE1' HG21 ' A' ' 119' ' ' ILE . 3.1 m-85 -41.61 -44.96 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -69.75 -34.81 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -57.0 -27.71 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.438 ' C ' ' N ' ' A' ' 128' ' ' ASP . 6.8 mt -92.88 -60.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.51 -28.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 126' ' ' ILE . 17.9 t70 -86.43 -60.38 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -49.91 -49.2 50.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 85' ' ' ALA . 7.5 tt -54.86 -19.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -90.09 20.17 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.29 -25.66 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.571 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -112.53 -31.56 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.441 HD23 ' CZ ' ' A' ' 133' ' ' TYR . 81.3 mt -45.61 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 62.46 67.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 60.93 69.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.513 0.197 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 66.07 172.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 38.87 61.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' CB ' ' HG3' ' A' ' 8' ' ' GLU . 18.2 p-10 -113.96 154.35 27.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' ILE . 11.0 p-10 -168.9 -155.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 5' ' ' ASN . 18.8 mm -40.45 -60.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.569 ' HD3' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.28 -55.96 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 4' ' ' ASN . 1.2 tm-20 -53.84 -46.37 71.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.41 -28.36 29.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.48 -57.38 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -41.02 -58.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLN . 25.1 p -43.53 -64.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 19.4 m-85 -42.59 -72.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -46.1 -44.33 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.51 -31.87 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' SER . 4.4 mt-30 -73.9 -10.49 59.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -89.1 -74.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -84.98 -167.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' THR . 80.4 p -150.45 -52.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 23' ' ' GLU . 62.2 p -44.39 170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -25.76 14.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ASP . 59.7 mt-30 -76.79 1.59 16.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 22' ' ' GLN . 81.8 mt-10 -33.78 -46.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -62.34 -55.97 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 85' ' ' ALA . 7.4 mt -67.52 -10.86 55.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . 11.3 m-20 -90.62 -34.27 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.7 m-30 -67.4 -66.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.73 -31.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.2 m -90.54 -79.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' ASP . 66.1 m -38.35 -57.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 29.7 m -36.67 -43.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 31.97 6.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' CYS . 16.7 mm-40 -140.82 33.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.3 t -135.15 -101.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.74 -53.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -124.75 -151.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.556 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 13.9 m-85 -104.39 -43.76 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.8 t -69.46 -6.51 30.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -85.03 -28.05 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.47 161.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 8.0 t70 -85.06 63.96 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 p -166.0 140.35 3.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' C ' ' HD2' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.97 145.29 31.39 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 32.8 mt -81.7 -33.55 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -41.06 -55.96 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.97 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' HG12 ' A' ' 50' ' ' ILE . 19.7 mm -47.42 -50.44 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.1 mtpt -50.59 -22.79 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 6.6 t-20 -78.61 -39.07 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 3.5 pt -84.71 0.03 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.403 ' CD1' HG21 ' A' ' 47' ' ' ILE . 21.1 mt -97.59 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -89.95 37.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 54' ' ' THR . 1.0 OUTLIER -110.65 -33.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.462 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -97.18 24.79 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -68.17 -69.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.78 134.84 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.18 -21.26 21.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.21 -48.29 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -56.57 -55.35 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -53.13 -40.8 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.61 -59.55 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.28 -29.1 57.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 54' ' ' THR . 36.7 mt -73.19 -51.38 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.02 -63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -55.39 -42.26 73.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -48.72 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.514 ' CB ' ' OH ' ' A' ' 123' ' ' TYR . . . -58.48 -42.71 88.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.487 ' CG2' HD12 ' A' ' 119' ' ' ILE . 39.5 t -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -40.51 -51.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' THR . 4.5 t-20 -74.47 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.591 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -40.75 -59.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.82 -41.09 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASN . 23.4 m -72.69 -30.9 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 6.2 mt -61.33 -13.04 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 p -84.39 42.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.6 m -170.41 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.674 ' CG1' ' CE1' ' A' ' 87' ' ' PHE . 72.2 t 38.95 74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.57 -172.42 13.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 -61.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 p -88.48 93.46 9.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.76 -171.72 29.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -168.96 -51.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 20.1 m-85 -40.35 112.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 84' ' ' MET . 8.7 tpt -73.22 -4.68 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.472 ' CB ' HD13 ' A' ' 130' ' ' ILE . . . -72.74 -53.78 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t -53.22 -26.37 17.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.674 ' CE1' ' CG1' ' A' ' 77' ' ' VAL . 4.0 m-85 -83.35 47.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 3.6 t80 -125.87 -43.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -32.31 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 15.1 p -49.92 -44.92 50.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.494 ' HB3' ' CD ' ' A' ' 94' ' ' PRO . 16.7 m120 -166.93 134.42 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.4 p -84.7 -43.64 14.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -38.27 -52.59 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.494 ' CD ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.04 -50.37 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.28 -27.23 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 mt -70.17 -56.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.569 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -51.31 -43.46 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.02 -32.15 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' TYR . 51.4 t -74.4 -69.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.5 t -42.03 -54.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.555 HG23 ' CE2' ' A' ' 123' ' ' TYR . 6.2 mm -50.25 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.805 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -38.63 -68.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.791 ' CZ ' ' CE2' ' A' ' 107' ' ' PHE . 24.8 t80 -40.07 -60.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' PHE . 45.5 mt -38.7 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.578 ' CD2' HD12 ' A' ' 110' ' ' LEU . 13.4 m-85 -47.24 -50.79 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.461 ' CB ' HG22 ' A' ' 31' ' ' THR . 6.1 m-70 -45.82 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.791 ' CE2' ' CZ ' ' A' ' 103' ' ' PHE . 3.9 m-30 -51.17 -31.62 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.26 63.23 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -124.38 -46.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -68.28 137.19 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 150.1 37.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.22 125.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.74 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 13.5 p30 -118.37 149.23 41.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER 172.26 -170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.92 1.43 39.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' O ' ' CG ' ' A' ' 117' ' ' GLN . 6.7 pt20 -169.72 120.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' ILE . 2.7 tp -127.16 166.64 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.488 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 20.3 mm -38.65 -68.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ILE . 3.5 ttpt -40.19 -47.99 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -50.72 -49.56 57.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -59.85 -66.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.805 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 11.7 m-30 -46.04 -24.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -84.37 -36.99 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -62.39 -29.03 70.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' A' ' 128' ' ' ASP . 2.3 mt -90.33 -54.14 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -39.63 -30.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -87.58 -52.15 5.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.35 -32.12 56.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 85' ' ' ALA . 2.1 tt -82.72 -27.09 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -86.77 4.63 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.8 -22.21 29.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -104.82 -23.8 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.7 mt -48.82 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.22 85.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.77 37.29 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.3 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtm . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.514 0.197 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -77.18 -63.07 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' C ' ' OD1' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -65.18 -63.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.8 OUTLIER 74.33 -176.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 3.1 m-20 153.74 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 26.8 mm -38.1 -53.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' CE ' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.95 -53.66 52.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -56.9 -42.39 79.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.604 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.3 mt-30 -50.78 -38.65 49.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 7.8 mt -64.39 -54.18 36.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ASN . 1.3 mp -50.43 -65.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -33.11 -54.25 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 6.3 m-30 -54.7 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 5.6 t80 -63.77 -9.14 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -83.08 -35.15 25.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 6.2 pt20 -82.2 7.6 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 18' ' ' CYS . . . -108.73 -66.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 23' ' ' GLU . 32.0 p -57.04 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.334 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -77.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -73.13 165.97 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -77.11 -18.74 57.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.556 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -88.61 0.86 55.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.76 -39.4 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 24.0 ptt85 -63.41 -52.18 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 7.4 mt -64.31 -27.66 69.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' SER . 2.2 t70 -82.44 -25.29 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -69.24 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -36.81 -34.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.53 -75.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 29' ' ' CYS . 8.7 t -33.66 -38.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 99.2 m -77.76 50.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 33' ' ' GLU . 10.0 ptt180 -176.29 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 32' ' ' ARG . 2.2 mt-10 -90.78 27.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.4 p -120.94 -109.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -171.49 -58.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.59 ' O ' ' CZ ' ' A' ' 107' ' ' PHE . 15.1 t -115.78 -145.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.737 ' CD1' ' CG ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -114.7 -27.01 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.1 t -77.02 -4.16 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -93.9 -31.69 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' VAL . 75.2 t -59.22 151.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' N ' HG12 ' A' ' 40' ' ' VAL . 35.5 t70 -67.48 72.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' VAL . 2.4 p -175.89 130.71 0.4 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 150.32 38.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.0 mt -80.87 -31.5 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 mt-10 -42.38 -58.78 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.526 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 2.3 mm -45.76 -48.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -46.63 -27.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -77.01 -42.32 39.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 HD13 ' CG2' ' A' ' 100' ' ' VAL . 1.4 pt -78.76 1.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.526 ' CD1' ' CG2' ' A' ' 47' ' ' ILE . 10.7 mt -102.35 -38.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -60.13 -14.9 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 HG21 ' CG2' ' A' ' 54' ' ' THR . 0.8 OUTLIER -67.3 -29.53 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 63' ' ' ILE . 8.3 p -106.84 18.24 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 15.5 mmtt -93.92 25.17 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' NE2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.15 138.37 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.5 tt0 -48.23 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 57' ' ' GLU . 22.9 m120 -32.47 -45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 56' ' ' ASP . 3.4 mp0 -64.05 -67.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -47.51 -32.78 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.03 -63.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -53.2 -27.42 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 HD13 ' CG2' ' A' ' 54' ' ' THR . 18.9 mt -71.93 -54.59 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -40.49 -58.16 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 64' ' ' THR . 0.1 OUTLIER -62.93 -50.24 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.2 mt -46.52 -44.55 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.1 -42.64 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.52 -29.03 61.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' CG ' ' CE1' ' A' ' 98' ' ' PHE . 27.8 m120 -92.35 -36.82 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -66.72 -49.75 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 73' ' ' THR . 4.4 ptmt -47.46 -38.8 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 4.1 m -73.46 -35.3 65.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.2 mt -58.41 -17.5 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.29 34.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.97 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.2 t -93.89 -5.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.15 -56.12 3.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.93 -54.35 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 80' ' ' THR . 9.4 t -109.3 77.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.04 -165.64 23.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.52 -73.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 133' ' ' TYR . 21.5 m-30 -79.12 145.96 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 19.2 mmt -72.11 -39.52 68.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . . . -58.69 -46.06 88.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -41.23 -54.68 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -46.42 -39.34 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 95' ' ' ALA . 1.9 t80 -55.64 -21.43 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -61.57 -57.19 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 61.9 p -74.27 -71.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.407 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 1.1 t-20 -82.63 82.57 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 96' ' ' ILE . 57.6 p -89.43 -47.93 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 6.4 mt-10 -42.52 -50.63 12.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.94 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.454 1.765 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . . . -54.86 -20.79 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.5 mt -76.05 -60.4 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 7' ' ' LYS . 1.2 mp -40.69 -33.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CE1' ' CG ' ' A' ' 70' ' ' ASN . 5.1 m-30 -71.82 -47.51 52.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ILE . 16.6 t -44.19 -41.05 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -69.6 -42.44 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.468 HG22 ' CE2' ' A' ' 123' ' ' TYR . 3.3 mm -62.79 -34.84 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 3.6 m-85 -61.77 -73.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -36.39 -50.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 51' ' ' ILE . 86.0 mt -50.0 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.9 m-85 -51.83 -24.81 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.1 OUTLIER -61.32 -34.3 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.574 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.737 ' CG ' ' CD1' ' A' ' 37' ' ' PHE . 15.2 m-85 -115.76 39.54 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PHE . . . 36.63 58.88 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.23 -47.03 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.561 ' CD1' ' CE2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -62.94 138.54 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -103.11 124.79 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -126.82 177.04 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -92.3 34.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 116' ' ' LYS . 2.8 t-20 -172.48 54.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -39.81 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ASN . 1.3 mmtm -174.86 -174.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.606 ' O ' ' C ' ' A' ' 118' ' ' ILE . 2.6 pt20 -58.31 -56.53 20.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.606 ' C ' ' O ' ' A' ' 117' ' ' GLN . 0.4 OUTLIER 22.85 -102.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.594 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 5.8 mm -56.92 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 117' ' ' GLN . 2.4 tttp -37.69 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' ILE . 3.6 tptt -63.82 -60.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -50.87 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.789 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 10.5 m-85 -43.51 -32.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.6 tt0 -78.58 -37.74 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.4 t -61.22 -25.69 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 128' ' ' ASP . 3.7 mt -95.17 -56.75 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 28' ' ' ILE . . . -40.6 -29.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 27.0 t0 -90.42 -59.06 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 2.7 m120 -47.21 -44.74 22.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 133' ' ' TYR . 4.7 tt -57.09 -32.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.87 1.76 11.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 41.1 t0 -85.96 -32.01 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 83' ' ' TYR . 9.3 p90 -131.88 37.31 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 130' ' ' ILE . 4.0 mt -91.07 -79.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.66 -75.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -157.93 82.11 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 170.89 108.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.79 -147.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.4 m120 -52.99 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER 82.18 -8.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 1' ' ' MET . 7.9 mm -66.69 -66.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -40.23 -52.89 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -36.32 55.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 53' ' ' ILE . 5.3 mt -57.65 -56.82 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.1 mp -46.61 -69.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 29.7 m -38.57 -67.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 5.6 m-30 -37.67 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 23.3 t80 -43.01 -36.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.2 t-20 -51.58 -37.5 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.0 mt-30 -86.72 40.82 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -145.25 -71.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.94 -167.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.338 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -84.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -60.06 179.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.18 -40.93 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASP . 7.7 mt-30 -52.49 -28.55 20.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -42.19 -49.17 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' NH2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.96 -60.93 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 13.9 mt -59.77 -20.83 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -83.09 -31.31 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -69.44 -60.71 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.579 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 3.3 pt -39.26 -30.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -87.27 -60.24 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.351 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.02 -63.04 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.552 HG21 ' CG ' ' A' ' 106' ' ' HIS . 5.4 m -48.54 -22.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 33.9 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -169.54 41.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.7 m -164.12 87.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -35.25 39.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -67.9 -21.3 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 40.4 m-85 48.45 21.31 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -121.95 -6.25 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -89.15 -10.18 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.47 156.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -66.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.585 ' CG1' ' CZ ' ' A' ' 103' ' ' PHE . 3.7 p -50.39 136.84 23.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 149.7 37.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 11.0 mt -81.4 -24.63 36.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.529 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.4 mt-10 -48.76 -58.94 7.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 4.1 mm -52.29 -36.39 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -13.38 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' PRO . 29.9 t30 -88.9 -36.87 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 6.0 pt -85.1 -1.67 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.513 HG23 ' CZ ' ' A' ' 109' ' ' PHE . 14.0 mt -88.3 -40.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.85 -13.11 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.427 ' CD1' HD23 ' A' ' 10' ' ' LEU . 5.9 tp -53.15 -31.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 63' ' ' ILE . 6.0 p -100.12 20.98 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.94 -39.13 91.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.07 145.12 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.8 pt-20 -65.56 -33.28 75.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.77 -45.53 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.95 -54.81 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mt -50.38 -65.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.05 -27.65 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 110' ' ' LEU . 13.4 mt -73.79 -52.72 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.69 -59.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -47.26 85.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.67 -41.02 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.93 92.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' ASN . 43.6 t -64.53 -48.34 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -40.98 -29.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -95.49 -53.56 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.584 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -48.7 -49.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -42.37 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -57.76 -29.97 65.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' A' ' 126' ' ' ILE . 36.6 mt -82.13 48.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.47 -6.88 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.415 HG21 ' CD2' ' A' ' 74' ' ' LEU . 46.2 t 59.15 80.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 79' ' ' ALA . . . -159.98 175.33 36.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 78' ' ' GLY . . . 85.94 -47.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -110.3 59.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.99 -132.95 4.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -162.05 -58.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 63.6 m-85 -113.08 159.11 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 126' ' ' ILE . 1.1 mpt? -56.88 -19.89 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -62.4 -46.78 87.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -49.86 -24.61 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -87.65 50.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CE2' ' HB1' ' A' ' 95' ' ' ALA . 18.4 t80 -143.02 -44.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -45.54 73.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -51.89 -40.99 61.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 70.7 m-20 -137.8 108.33 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -84.36 -44.05 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -37.73 -52.85 2.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -48.51 -31.26 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.402 ' CG2' HG13 ' A' ' 11' ' ' ILE . 2.0 mt -71.85 -57.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 97' ' ' ILE . 1.4 mp -60.52 -35.49 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.747 ' CZ ' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -71.71 -27.36 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.447 ' SG ' ' CZ ' ' A' ' 14' ' ' PHE . 9.0 t -75.32 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.13 -54.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 11.0 mm -51.27 -58.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.747 ' CE1' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -43.93 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 107' ' ' PHE . 1.3 t80 -34.12 -59.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 51' ' ' ILE . 24.7 mt -44.35 -67.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 4.7 m-85 -54.09 -49.16 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.552 ' CG ' HG21 ' A' ' 31' ' ' THR . 0.0 OUTLIER -52.56 -51.5 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 2.9 m-85 -68.47 -36.8 79.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.09 77.75 1.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.513 ' CZ ' HG23 ' A' ' 51' ' ' ILE . 2.6 m-85 -141.05 -53.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.556 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.5 mt -59.46 151.69 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -104.32 140.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -146.53 123.93 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -78.91 150.4 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 70.05 129.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.4 82.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.64 122.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 38.72 36.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 1.6 tp -81.44 -172.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.7 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 13.6 mm -48.19 -71.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' CG ' ' HB3' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -42.24 -47.21 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -43.94 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -73.03 -64.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 119' ' ' ILE . 2.4 m-85 -40.48 -31.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.76 -42.55 21.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.23 -28.19 10.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 74' ' ' LEU . 15.4 mt -90.78 -62.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 28' ' ' ILE . . . -39.73 -29.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.453 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -82.06 -64.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 3.4 t-20 -49.79 -48.94 50.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.516 HD11 ' CB ' ' A' ' 85' ' ' ALA . 1.2 tt -55.82 -22.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 134' ' ' LEU . . . -86.82 10.39 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 51.6 t0 -74.07 -55.48 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -76.28 -20.41 57.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 131' ' ' ALA . 14.6 mt -49.95 -80.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 67.74 85.78 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.57 71.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' N ' HG23 ' A' ' 11' ' ' ILE . 3.7 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.03 -169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 68.47 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.553 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.9 m-20 -159.68 155.41 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 3.5 t-20 85.93 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mm -39.84 -72.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -31.47 -47.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -57.2 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -47.99 -40.56 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.26 -60.67 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CD1' ' CE ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -39.64 -61.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -38.98 -62.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 18.3 m-85 -53.72 -72.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -43.08 -36.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.49 -41.41 96.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.9 mt-30 -73.0 -3.3 25.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -107.25 -88.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 15.8 p -97.7 110.47 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -72.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -40.91 152.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -75.63 -47.78 25.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.655 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.23 -35.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.79 -35.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HD3' ' CD2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.05 -52.32 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 85' ' ' ALA . 8.6 mt -67.06 -21.09 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-20 -81.67 -26.55 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.7 m-30 -72.72 -66.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -38.62 -32.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' PHE . 49.2 t -90.21 -76.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 19.6 m -40.79 -61.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.52 HG21 ' CG ' ' A' ' 106' ' ' HIS . 30.2 m -39.31 -51.46 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.69 34.84 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -167.88 50.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -136.88 -102.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -170.92 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 t -131.85 170.57 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 107' ' ' PHE . 3.0 m-85 -64.28 -38.68 91.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.9 t -78.45 4.56 12.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 t -100.2 -18.72 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.07 164.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -57.19 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 6.0 p -44.08 138.12 3.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 145.21 31.2 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 12.6 mt -82.11 -28.66 32.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -45.87 -57.37 8.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 51' ' ' ILE . 11.3 mm -45.78 -50.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -47.25 -27.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.598 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -75.38 -42.61 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 2.3 pt -82.51 4.57 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.549 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 10.6 mt -102.36 -29.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.61 36.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -38.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 63' ' ' ILE . 3.7 p -89.76 14.13 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -7.28 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.6 m-20 -104.8 139.48 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' ASN . 1.9 tt0 -50.88 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.2 m-20 -35.36 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -64.42 -59.15 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' CG ' ' HD3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -57.53 -27.78 62.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 2.4 mt -76.39 -56.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -31.34 65.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' A' ' 110' ' ' LEU . 15.6 mt -65.81 -51.39 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.97 -58.75 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -43.82 97.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -53.07 -54.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.66 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' A' ' 119' ' ' ILE . 6.8 t -64.74 -51.82 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.9 t30 -39.75 -31.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -97.84 -54.87 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -46.13 -56.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.92 -36.32 7.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 m -76.87 -32.31 57.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 98' ' ' PHE . 6.1 mt -60.15 -15.46 24.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -65.2 -10.38 31.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.074 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -8.85 24.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.1 t -94.32 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.44 -105.68 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.74 -53.13 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -111.79 29.63 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.16 -140.39 11.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' A' ' 83' ' ' TYR . 0.7 OUTLIER 177.71 80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 6.1 m-85 35.84 93.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . 2.0 tmt? -36.04 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . . . -48.16 -45.64 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 0.4 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.2 m-85 -85.43 44.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 14.9 t80 -132.62 -45.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.531 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 20.1 p -64.42 -48.69 74.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.7 p -56.39 -56.42 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 35.8 p-10 -113.17 101.86 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 1.4 m -84.26 -41.7 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.5 mt-10 -38.0 -53.46 2.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.162 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.49 ' CG ' ' HB2' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.566 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -47.48 -27.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 mt -76.24 -59.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.498 HD12 ' CE ' ' A' ' 7' ' ' LYS . 1.3 mp -51.4 -35.49 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -63.42 -63.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 -59.26 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -43.86 -61.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 123' ' ' TYR . 5.2 mm -53.58 -46.07 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 123' ' ' TYR . 1.2 m-85 -57.68 -75.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -36.47 -51.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.03 -50.05 65.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 3.3 m-85 -68.82 -44.17 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.52 ' CG ' HG21 ' A' ' 31' ' ' THR . 17.1 m-70 -41.4 -60.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 22.3 m-85 -67.21 -63.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 13.8 m-85 -91.34 -58.15 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.4 mt -55.44 147.07 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -55.87 106.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.96 87.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 115' ' ' LYS . 2.8 t-20 -40.17 154.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -70.31 61.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' ASN . 1.9 tttt -170.24 -44.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 142.86 40.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.531 ' O ' ' C ' ' A' ' 118' ' ' ILE . 1.2 mm-40 -120.76 -71.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.531 ' C ' ' O ' ' A' ' 117' ' ' GLN . 0.4 OUTLIER 30.45 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.709 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 5.9 mm -59.4 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 117' ' ' GLN . 10.2 tttm -46.71 -25.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CG ' ' HB3' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . . . -73.23 -65.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.709 ' CE2' ' CG2' ' A' ' 119' ' ' ILE . 3.5 m-85 -41.47 -40.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.85 -38.06 73.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -57.22 -28.28 62.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.42 ' C ' ' N ' ' A' ' 128' ' ' ASP . 3.2 mt -93.94 -56.43 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.8 -25.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 71.2 m-20 -89.37 -60.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -49.95 -34.93 22.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 85' ' ' ALA . 1.7 tt -69.72 -30.86 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.83 2.96 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -82.06 -30.75 31.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -93.17 -18.78 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.14 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.28 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.33 73.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.526 0.203 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 175.35 -70.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 -73.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.26 -68.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -104.78 -27.53 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 9' ' ' GLN . 31.2 mm -57.07 -86.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' CE ' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -39.93 -29.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.2 tt0 -64.64 -52.05 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.28 -28.36 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 7.8 mt -63.06 -47.97 80.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' CE ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.85 -58.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -41.4 -63.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 4.6 m-30 -36.53 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.617 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 1.2 m-85 -30.48 -48.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.5 t-20 -37.95 -46.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 2.4 pt20 -80.89 47.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -160.48 -73.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -132.46 106.75 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 27.68 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -77.59 -159.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -104.99 -53.87 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' ASP . 23.0 mt-30 -74.81 -2.3 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -37.53 -35.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HG3' ' CD2' ' A' ' 25' ' ' LEU . 1.6 ptp85 -77.53 -50.69 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 12.9 mt -68.7 -7.96 38.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLN . 3.0 m-20 -87.78 -38.75 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.2 m-85 -67.11 -61.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 2.2 pt -49.3 -25.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 46.5 t -86.93 -73.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.259 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -41.71 -48.77 4.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.555 HG21 ' CD2' ' A' ' 106' ' ' HIS . 86.7 m -48.37 -41.18 27.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.05 18.64 15.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 34' ' ' SER . 81.0 mm-40 -148.23 48.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 3.4 m -168.8 91.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -48.82 -29.89 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 1.8 t -103.59 -155.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 36' ' ' THR . 0.3 OUTLIER -123.95 -37.73 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -61.65 -13.07 19.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.4 -48.74 12.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -43.49 146.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.591 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 9.4 t0 -56.97 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.591 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 3.4 p 56.68 142.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.03 147.47 33.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 24.9 mt -82.03 -11.77 58.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mt-10 -61.87 -59.8 12.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.563 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -75.06 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 6.7 mm -51.74 -40.82 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.0 -12.4 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 7.3 t-20 -85.05 -37.25 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 14' ' ' PHE . 29.6 pt -85.85 -7.75 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' A' ' 109' ' ' PHE . 19.5 mt -77.82 -23.23 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -90.07 26.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -100.76 -28.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 p -98.65 -17.49 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -44.08 -44.12 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 6.6 m-20 -63.71 144.59 56.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 2.2 tt0 -58.75 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' GLU . 72.5 m-20 -37.46 -35.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 4.4 mm-40 -57.89 -54.11 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 2.5 mm-40 -51.53 -52.61 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -63.56 -52.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -55.2 -29.7 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 HG23 ' CD1' ' A' ' 101' ' ' ILE . 22.4 mt -67.96 -46.68 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.99 -56.66 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.44 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 -47.76 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.58 -44.99 85.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.8 t -60.03 -38.6 77.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -51.95 -22.71 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -92.29 -37.69 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -69.86 -49.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -26.3 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 m -86.94 -41.59 13.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' CD1' HD11 ' A' ' 126' ' ' ILE . 3.5 mt -49.32 -26.83 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.85 62.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.9 OUTLIER -170.19 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' SER . 21.7 t -37.43 98.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -94.47 -143.42 13.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' THR . . . -46.26 -59.58 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 79' ' ' ALA . 61.0 p 37.53 -155.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -45.53 -48.12 12.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.167 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 174.95 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE2' ' CD1' ' A' ' 133' ' ' TYR . 52.1 m-85 -116.31 -164.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mmt -77.09 0.53 21.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.474 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -82.3 -44.34 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . 55.5 m -63.49 -46.23 87.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -48.88 -55.83 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.4 m-85 -61.35 -16.25 44.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -63.83 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.1 p -70.08 -41.99 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.505 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 3.9 t-20 -93.34 89.4 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ILE . 52.4 p -86.5 -47.37 9.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -37.37 -53.4 2.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -75.0 -47.13 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.7 -22.82 9.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 mt -78.57 -57.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.477 HD12 ' CE ' ' A' ' 7' ' ' LYS . 1.4 mp -54.29 -36.08 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.43 -59.74 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.9 -65.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.3 t -41.96 -59.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 105' ' ' TYR . 11.3 mm -51.16 -66.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.613 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 61.6 t80 -35.88 -64.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -45.75 -44.48 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 108' ' ' GLY . 25.0 mt -62.04 -73.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -39.41 -60.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CE1' ' CE1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.69 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -149.73 76.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -141.88 -106.43 0.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 51' ' ' ILE . 22.3 m-85 -131.5 -30.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 2.0 mt -48.19 154.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -117.5 121.77 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.529 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 9.1 p-10 -135.34 92.5 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -153.82 98.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -176.21 88.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.09 179.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -88.37 -163.34 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 42.86 29.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 2.2 tp -80.12 171.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.553 HG22 ' CD1' ' A' ' 123' ' ' TYR . 6.9 mm -42.49 -69.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' CG ' ' OD2' ' A' ' 112' ' ' ASP . 2.1 ptmt -42.72 -32.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.52 -54.25 39.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -73.84 -62.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.553 ' CD1' HG22 ' A' ' 119' ' ' ILE . 2.9 m-85 -37.78 -36.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 28.8 tt0 -81.9 -43.05 18.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.3 t -44.55 -27.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.444 ' C ' ' N ' ' A' ' 128' ' ' ASP . 14.6 mt -90.97 -63.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.24 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -83.05 -61.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -50.02 -44.25 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.421 HD11 ' CA ' ' A' ' 85' ' ' ALA . 1.7 tt -62.51 -28.99 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -84.63 3.71 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.47 -27.42 22.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -100.81 -19.9 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 10.7 mt -51.94 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 4.2 t30 80.99 82.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.87 60.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.423 0.154 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -176.69 116.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 69.47 170.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 64.61 156.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.76 -66.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' GLN . 11.7 mm -56.02 -80.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HE2' ' CG ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -42.52 -39.12 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -44.62 96.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 mt-30 -55.06 -33.95 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.14 -42.6 84.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.2 mp -60.03 -61.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -39.29 -58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 4.2 m-85 -42.48 -90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -43.98 -36.65 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -59.19 -38.07 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 4.1 pt20 -89.45 28.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HD2' ' A' ' 43' ' ' PRO . . . -118.5 -65.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -132.21 156.22 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -58.89 -16.47 17.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.47 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 43.6 p 42.38 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.458 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 80.52 -56.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 4.2 pt20 -95.68 -34.29 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -57.29 -47.89 80.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 88' ' ' PHE . 10.6 ptt180 -43.31 -47.41 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 4.3 mt -64.34 -35.44 80.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.4 t0 -84.92 -7.09 59.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 103' ' ' PHE . 62.6 t80 -89.47 -58.36 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -37.99 -31.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.26 -61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.273 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.53 ' HA ' ' HG3' ' A' ' 33' ' ' GLU . 38.0 m -46.96 -48.51 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 106' ' ' HIS . 23.8 m -55.46 -17.04 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.46 31.78 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -171.14 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 m -118.32 -93.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.85 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 t -116.48 -151.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -104.29 -40.49 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -71.13 -5.12 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -88.95 -32.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 27' ' ' PHE . 98.7 t -57.01 147.92 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.677 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 12.1 t0 -53.91 163.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.677 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER 91.88 135.47 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.03 158.75 41.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 69.3 mt -84.12 -15.86 45.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 mt-10 -56.32 -56.33 32.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.95 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CG1' HG13 ' A' ' 42' ' ' VAL . 7.0 mm -48.58 -50.48 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.5 -15.54 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.609 ' CG ' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t-20 -84.36 -34.79 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.3 pt -87.46 -21.67 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 109' ' ' PHE . 5.0 mt -66.74 -21.93 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 29.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -109.75 -24.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 63' ' ' ILE . 3.9 p -111.73 20.57 16.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -71.6 -55.93 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.65 132.11 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -55.85 -29.96 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 90.9 m-20 -67.97 -34.62 76.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.02 -46.71 64.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.01 -37.05 68.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.0 mt -71.54 -57.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -35.47 70.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 110' ' ' LEU . 28.6 mt -59.91 -44.94 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -56.21 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.11 82.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -51.39 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.48 -40.96 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' HD13 ' A' ' 119' ' ' ILE . 37.9 t -65.24 -54.17 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.5 t30 -38.93 -30.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -97.04 -54.59 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -46.79 -50.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -51.7 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -61.43 -33.48 73.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 mt -61.27 -14.41 26.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.02 47.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.7 m -169.94 -66.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 87' ' ' PHE . 5.1 t 40.55 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.95 -104.67 1.52 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -170.77 -52.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.0 p -75.99 149.89 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 50.13 -162.11 0.95 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -166.1 58.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' A' ' 133' ' ' TYR . 21.3 m-85 -103.23 94.67 5.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.426 ' CG ' ' CE1' ' A' ' 88' ' ' PHE . 49.3 ttp -63.96 -22.46 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -63.16 -43.23 98.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -32.2 70.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 77' ' ' VAL . 24.1 t80 -90.27 23.81 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -32.37 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 t -64.17 -49.38 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.7 p -60.17 -49.87 75.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -101.24 99.66 10.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ILE . 53.1 p -86.27 -48.01 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.489 ' CG ' ' HE2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -37.75 -53.23 2.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.74 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.604 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 9.8 mt -72.02 -66.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.419 HD12 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -52.74 -40.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -48.43 -69.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -47.13 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.35 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' CYS . 1.4 t -39.23 -53.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 123' ' ' TYR . 8.8 mm -55.34 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 26.1 t80 -40.41 -57.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 5.8 t80 -37.72 -64.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' TYR . 4.5 mt -49.56 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' LEU . 1.3 m-85 -34.41 -58.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.8 t60 -39.84 -61.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.565 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.578 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -165.63 76.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -142.94 -104.24 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 5.7 m-85 -121.84 -38.12 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 63' ' ' ILE . 1.3 mt -50.16 136.2 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 135.88 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 113' ' ' ASN . 38.8 t0 -169.82 65.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 112' ' ' ASP . 71.2 m-80 44.32 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -94.19 166.75 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.45 59.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -176.84 55.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 116' ' ' LYS . 21.3 pt20 45.43 37.93 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -94.01 -177.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.712 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 31.9 mm -41.68 -62.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -43.62 -36.64 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -69.8 -44.3 70.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -66.28 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.712 ' CE2' ' CG2' ' A' ' 119' ' ' ILE . 2.5 m-85 -42.28 -35.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.34 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -54.35 -28.14 40.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.431 ' C ' ' N ' ' A' ' 128' ' ' ASP . 4.7 mt -92.96 -57.85 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.421 ' HB1' ' CG2' ' A' ' 28' ' ' ILE . . . -40.62 -29.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.6 OUTLIER -87.44 -57.69 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 1.9 t30 -48.79 -45.35 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 85' ' ' ALA . 8.8 tt -58.71 -30.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.62 2.18 26.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 6.2 t70 -87.33 -22.79 24.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -102.09 -25.53 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 44.6 mt -50.4 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 3.3 t30 85.38 -47.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.33 81.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.475 0.178 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -165.67 -72.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 169.74 -81.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.346 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-80 -95.2 153.51 17.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.55 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.7 mm -49.87 -79.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -39.83 -44.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -48.28 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -57.07 -37.42 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 13.5 mt -56.88 -45.26 82.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.13 -56.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 9.2 m -42.4 -63.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 1.9 m-85 -37.68 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.666 ' CE1' ' CG2' ' A' ' 100' ' ' VAL . 1.9 m-85 -32.21 -46.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.8 t-20 -39.09 -45.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.3 mt-30 -81.42 46.54 0.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . -159.88 -76.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m -160.52 120.25 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -145.94 21.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -78.18 -165.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -115.72 -44.5 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -64.24 -52.12 60.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 41' ' ' ASP . 23.9 mt-10 -54.45 -36.12 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mtm-85 -59.62 -54.39 46.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 85' ' ' ALA . 3.8 mt -56.7 -32.05 65.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.53 -22.22 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -72.37 -60.87 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -39.43 -30.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' N ' ' C ' ' A' ' 27' ' ' PHE . 49.1 t -86.23 -75.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -39.47 -53.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.66 ' CG2' ' CG ' ' A' ' 106' ' ' HIS . 17.3 m -38.1 -56.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 29.38 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -170.22 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -127.1 -103.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.47 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 39' ' ' SER . 5.4 t -99.04 -18.9 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.618 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 19.0 m-85 63.82 10.47 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -126.14 1.01 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' ' CG2' ' A' ' 36' ' ' THR . 1.1 m -126.54 18.61 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.36 -96.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' OD2' ' OE2' ' A' ' 23' ' ' GLU . 16.7 t0 -139.02 -54.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 18' ' ' CYS . 7.2 p -58.8 140.29 86.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.04 147.85 34.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 22.2 mt -82.17 -31.98 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.8 mt-10 -42.96 -58.0 4.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -75.04 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.532 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 15.8 mm -49.47 -49.58 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.3 mttm -59.29 -16.15 20.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 9.9 t-20 -78.59 -35.01 46.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' A' ' 14' ' ' PHE . 33.1 pt -85.82 -36.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.573 HD12 ' CZ ' ' A' ' 109' ' ' PHE . 9.6 mt -46.66 -24.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.64 36.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -110.48 -35.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.402 ' CG2' HD11 ' A' ' 63' ' ' ILE . 2.1 p -104.27 23.85 12.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -73.29 -34.94 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 169.36 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.6 -51.35 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -58.99 -18.3 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -56.02 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -49.7 -41.23 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 61.3 mt -63.79 -62.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -35.02 59.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CG2' HD22 ' A' ' 110' ' ' LEU . 39.5 mt -62.76 -50.9 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.81 -58.47 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -47.54 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' O ' ' OD1' ' A' ' 70' ' ' ASN . . . -54.92 -45.07 74.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 t -68.28 -33.32 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -61.39 -31.78 71.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -92.87 -36.64 12.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -65.05 -47.11 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -47.44 -24.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 71' ' ' ILE . 33.0 m -88.01 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 126' ' ' ILE . 2.6 mt -54.56 -19.8 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.84 28.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.21 159.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.48 132.76 3.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.16 -70.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 p -39.85 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.18 138.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' MET . 19.8 mm100 -91.54 23.95 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -65.39 72.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.596 ' SD ' ' CE1' ' A' ' 88' ' ' PHE . 1.3 tmm? -51.3 -20.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 25' ' ' LEU . . . -48.94 -42.67 38.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.3 m -63.67 -36.13 82.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -52.57 -37.48 58.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE1' ' SD ' ' A' ' 84' ' ' MET . 76.5 m-85 -60.04 -39.2 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 -49.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.3 p -49.76 -49.86 46.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 29.3 m-80 -139.04 107.81 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' ILE . 22.2 m -85.47 -35.07 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.0 mt-10 -46.65 -54.42 19.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.455 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.5 Cg_endo -74.95 -43.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 88' ' ' PHE . . . -57.4 -21.15 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 97' ' ' ILE . 3.5 mt -78.94 -63.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.2 mp -43.05 -59.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.532 ' CE2' ' HE3' ' A' ' 84' ' ' MET . 0.0 OUTLIER -50.32 -49.09 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.9 t -50.38 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.345 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.666 ' CG2' ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -46.29 -36.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 98' ' ' PHE . 10.4 mm -69.75 -77.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 5.6 t80 -43.29 -27.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.625 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 11.8 t80 -61.98 -60.5 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.57 -18.48 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.549 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 4.6 m-85 -90.73 -39.6 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.66 ' CG ' ' CG2' ' A' ' 31' ' ' THR . 0.4 OUTLIER -78.4 1.51 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.601 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CD2' ' NE2' ' A' ' 106' ' ' HIS . 2.1 m-85 -129.19 -41.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 109' ' ' PHE . . . 109.01 105.56 2.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 3.8 m-85 -176.35 -42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 105' ' ' TYR . 0.7 OUTLIER -64.48 133.89 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -86.96 138.83 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -169.06 178.45 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.3 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -48.17 174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.11 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.88 -168.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.538 ' O ' ' C ' ' A' ' 118' ' ' ILE . 7.9 pt20 -135.49 -57.94 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.538 ' C ' ' O ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER 29.22 -98.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.517 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 6.4 mm -58.91 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 0.4 OUTLIER -41.09 -30.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -54.21 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -59.27 -70.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.572 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 14.0 m-30 -39.78 -31.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 9.5 mm-40 -84.6 -42.2 15.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.3 t -53.37 -22.81 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.465 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 9.5 mt -97.16 -62.43 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.7 -25.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 131' ' ' ALA . 34.8 t0 -90.86 -59.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 125' ' ' THR . 56.7 m-20 -47.42 -37.27 11.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.497 ' HA ' ' CD2' ' A' ' 133' ' ' TYR . 6.6 tt -67.94 -37.44 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.66 -11.01 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.42 -29.08 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.6 OUTLIER -90.54 -34.04 15.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.9 -70.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.25 95.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -98.22 36.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.524 0.202 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.29 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.427 ' N ' ' NE2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -177.45 158.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 2.6 p30 -172.42 132.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 5.6 t-20 84.12 -152.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 5' ' ' ASN . 22.8 mm -34.14 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.555 ' CD ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -35.66 -59.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.437 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 4.0 tt0 -49.47 -52.08 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 1.8 mt-30 -49.99 -40.7 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.6 mt -66.77 -61.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.477 HD12 ' CE ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -39.48 -62.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -38.43 -68.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CB ' HG23 ' A' ' 50' ' ' ILE . 9.4 m-30 -43.73 -64.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t80 -57.94 -14.64 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.4 t-20 -76.07 -36.88 58.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.01 -3.43 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . . . -105.38 -81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.597 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 58.9 m -154.07 114.24 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -119.68 -92.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' SER . 15.0 p 35.07 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' GLN . 67.0 m170 -111.62 -77.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.641 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.8 mm100 -36.19 -45.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -35.9 -43.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.58 -68.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 13.4 mt -56.17 -30.07 61.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.74 -26.54 60.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -70.49 -63.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -39.37 -30.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' PHE . 25.3 m -88.05 -60.27 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p -45.75 -47.69 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 1.9 m -76.47 54.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 174.97 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -92.21 30.17 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -122.52 -102.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.91 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.0 t -127.91 -158.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HB2' ' CD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -101.56 -31.21 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 43.5 t -82.89 7.26 15.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -103.84 -25.72 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.1 t -51.95 158.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -62.12 -57.05 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 5.9 p -38.24 136.77 0.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 26.3 mt -82.64 -21.47 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.68 -57.61 13.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' A' ' 50' ' ' ILE . 15.9 mm -48.19 -42.5 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -51.91 -27.23 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -75.72 -42.7 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 13' ' ' PHE . 2.1 pt -82.51 5.12 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.575 HG23 ' CE1' ' A' ' 109' ' ' PHE . 3.9 mt -99.16 -24.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.71 37.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.35 -28.88 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.483 ' CG2' HD13 ' A' ' 63' ' ' ILE . 4.3 p -103.98 20.85 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -62.21 -56.49 18.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.5 148.79 47.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 58' ' ' ASN . 15.2 pt-20 -65.02 -49.1 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 1.4 m-20 -49.04 -34.9 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ILE . 15.7 mm100 -66.12 -58.5 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 40.7 mt-30 -45.16 -44.59 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.7 mt -67.7 -63.0 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.68 -26.56 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CG2' HD12 ' A' ' 110' ' ' LEU . 52.1 mt -72.32 -46.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -52.44 23.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -43.34 80.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.7 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 119' ' ' ILE . . . -52.47 -44.45 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 69' ' ' ASN . 17.1 t -66.11 -49.0 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' VAL . 26.6 t30 -36.51 -39.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' THR . 28.7 t-20 -88.59 -59.32 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -40.57 -52.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.87 -45.09 10.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.5 m -66.87 -34.25 77.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ILE . 2.3 mt -61.07 -15.19 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 m -79.6 52.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.2 t -170.36 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' SER . 22.4 t 39.82 80.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.62 107.61 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.5 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.7 t -138.45 68.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.11 177.91 33.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.48 -67.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -57.4 152.85 13.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.538 ' O ' ' CE2' ' A' ' 88' ' ' PHE . 4.1 mpp? -76.03 1.19 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 130' ' ' ILE . . . -81.25 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -23.35 62.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 3.6 t80 -87.72 47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 13.4 m-85 -153.68 -43.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -40.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 19.8 p -84.28 -59.59 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.503 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.7 t-20 -80.32 89.32 5.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.2 p -87.05 -48.66 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -37.56 -53.36 2.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.503 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.99 -48.68 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.11 -21.36 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.6 mt -78.59 -53.34 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.555 HD11 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.12 -45.14 77.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 123' ' ' TYR . 5.2 t80 -62.93 -36.1 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -59.42 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.44 ' CG2' HD11 ' A' ' 50' ' ' ILE . 1.3 t -53.3 -39.09 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.613 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 3.4 mm -71.13 -55.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.618 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 56.0 t80 -38.82 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -53.66 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.3 mt -44.97 -51.77 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 2.8 m-85 -66.05 -47.18 75.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.618 ' CE1' ' CZ ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.551 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.563 ' CZ ' HG21 ' A' ' 31' ' ' THR . 0.1 OUTLIER -170.19 60.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -119.44 -107.87 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.575 ' CE1' HG23 ' A' ' 51' ' ' ILE . 6.5 m-85 -120.9 -31.95 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.572 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 3.0 mt -49.83 152.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.458 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -157.07 147.41 21.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 113' ' ' ASN . 40.1 t0 -167.34 75.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 112' ' ' ASP . 47.9 m-20 52.89 101.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 48.73 -168.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.97 165.71 23.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.13 39.58 30.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -137.41 -46.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER -101.06 -138.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.674 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 7.0 mm -38.79 -58.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -39.14 -45.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.68 -62.21 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -51.54 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.674 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 5.8 m-85 -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -82.19 -39.94 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -50.04 -32.97 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.432 ' C ' ' N ' ' A' ' 128' ' ' ASP . 6.1 mt -85.47 -61.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.95 -28.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 126' ' ' ILE . 4.6 m-20 -82.7 -64.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER -49.96 -51.68 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 28' ' ' ILE . 1.3 tt -53.81 -20.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -90.55 22.54 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 129' ' ' ASN . 0.9 OUTLIER -89.5 -55.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -19.6 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.6 mt -56.01 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 66.07 79.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 40.36 60.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.477 0.18 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.72 138.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.77 142.81 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 5' ' ' ASN . 2.5 m120 -154.78 -92.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.498 ' O ' ' C ' ' A' ' 6' ' ' ILE . 40.2 p-10 174.25 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.498 ' C ' ' O ' ' A' ' 5' ' ' ASN . 2.1 mm -31.95 -50.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' CE ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -47.17 -63.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -48.74 -43.97 38.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.73 -41.39 81.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' C ' ' CE2' ' A' ' 14' ' ' PHE . 17.8 mt -53.23 -57.54 10.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -41.65 -55.66 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -40.24 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.5 m-30 -31.82 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.62 ' CE1' HG23 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -32.67 -51.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' PHE . 3.5 t30 -39.31 -45.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 15.4 mt-30 -81.08 46.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.55 -74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' CB ' HG22 ' A' ' 42' ' ' VAL . 52.3 t -162.74 83.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -83.65 -69.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.9 p 37.99 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.4 m-70 -137.49 -99.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.655 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -35.01 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' HIS . 31.4 mm-40 -39.4 -38.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HD2' ' CE2' ' A' ' 88' ' ' PHE . 12.7 ptt-85 -54.36 -47.47 72.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 16.0 mt -62.3 -26.98 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.84 -9.1 52.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -89.83 -57.92 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -38.97 -30.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 4.8 t -90.36 -61.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -46.75 -55.72 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 35.8 m -42.03 -49.53 4.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 26.92 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -159.54 45.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -128.78 -99.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -170.66 -54.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 39' ' ' SER . 3.1 t -137.31 -169.69 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 4.4 m-85 -91.4 -46.41 8.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.403 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -62.62 -12.63 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.436 ' CB ' HG23 ' A' ' 36' ' ' THR . 3.3 m -78.78 -45.97 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -40.81 159.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 36.2 t0 -78.52 75.28 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 18' ' ' CYS . 5.4 p -175.56 135.01 0.48 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.04 148.33 34.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 35.3 mt -82.31 -34.76 28.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -40.52 -57.34 3.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 43' ' ' PRO . 10.4 mm -48.62 -34.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.85 -21.01 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' PRO . 10.7 t-20 -83.2 -40.06 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 14' ' ' PHE . 3.7 pt -76.98 -4.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mt -89.69 -33.27 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -68.79 -24.57 64.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -23.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 63' ' ' ILE . 3.1 p -113.99 15.71 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 23.3 mmtt -95.78 31.82 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -140.43 134.75 31.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.1 tt0 -42.34 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 12.6 p-10 -38.67 -48.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 20.8 mm-40 -51.34 -50.8 58.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.6 mt-30 -55.19 -50.66 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.81 -53.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.57 -38.46 66.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' HD21 ' A' ' 110' ' ' LEU . 21.7 mt -59.36 -52.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.14 -60.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -47.45 86.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mt -48.61 -42.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' CG2' HD12 ' A' ' 119' ' ' ILE . 47.9 t -64.35 -43.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 65.4 t30 -39.68 -31.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.3 t30 -92.7 -58.46 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -44.5 -52.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -40.07 -42.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.0 m -89.13 -33.96 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.93 -17.15 55.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 35.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.21 -66.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 87' ' ' PHE . 0.9 OUTLIER 40.49 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.21 -98.49 1.23 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.04 -72.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.5 p -130.13 169.28 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.7 177.05 1.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 87' ' ' PHE . 8.7 mm100 61.26 89.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 82' ' ' GLN . 61.3 m-85 -47.3 176.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.581 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -78.94 4.37 14.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' HD12 ' A' ' 130' ' ' ILE . . . -92.77 -46.17 7.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -51.33 -44.65 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 4.3 m-30 -47.9 -38.84 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -60.73 -21.45 62.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -61.37 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.9 p -80.85 -45.67 16.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.2 m-20 -87.35 76.98 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 96' ' ' ILE . 4.0 m -90.41 -50.84 5.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -47.06 -48.29 53.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.03 -46.9 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.577 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -58.48 -23.55 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.7 mt -71.91 -59.68 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 HD13 ' CE ' ' A' ' 7' ' ' LYS . 1.4 mp -51.24 -50.65 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.71 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 1.6 t80 -58.3 -50.75 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . 43.3 t -41.38 -63.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.62 HG23 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -47.42 -58.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.447 HG23 ' CE2' ' A' ' 105' ' ' TYR . 22.9 mm -42.94 -50.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -57.55 -53.37 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 107' ' ' PHE . 4.6 t80 -51.14 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 100' ' ' VAL . 7.5 mt -44.14 -49.0 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 2.0 m-85 -59.49 -43.68 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.8 OUTLIER -79.96 -2.76 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -110.87 -2.07 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.81 90.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -161.43 -60.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.6 mt -58.5 151.01 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 119.64 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 105' ' ' TYR . 3.4 m-20 -160.61 -174.35 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.4 t30 65.44 97.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -147.52 -49.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -157.04 139.07 14.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.89 -177.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 121' ' ' LYS . 1.4 pt20 -61.55 137.03 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -112.58 174.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.582 HG22 ' CE1' ' A' ' 123' ' ' TYR . 24.6 mm -40.51 -61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.0 -48.17 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.464 ' CG ' ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -49.54 -42.2 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -78.96 -63.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.71 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 5.6 m-85 -42.54 -34.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.62 -38.42 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.85 -31.46 39.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.412 ' C ' ' N ' ' A' ' 128' ' ' ASP . 8.3 mt -86.52 -60.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.51 -27.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 131' ' ' ALA . 4.0 t70 -85.44 -63.01 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 41.6 t-20 -49.58 -47.05 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.478 HD12 ' CB ' ' A' ' 85' ' ' ALA . 1.2 tt -56.5 -23.05 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -85.49 6.86 25.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 29.4 t0 -76.96 -56.74 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.402 ' CZ ' HD21 ' A' ' 134' ' ' LEU . 0.8 OUTLIER -71.99 -15.69 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 133' ' ' TYR . 12.0 mt -57.82 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' GLU . 0.6 OUTLIER 67.9 89.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 135' ' ' ASN . 0.6 OUTLIER 38.37 68.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.551 0.215 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -148.51 101.01 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 49.1 tp60 -86.88 -90.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 4.9 m-20 156.1 133.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 6' ' ' ILE . 6.7 t-20 75.61 -149.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' C ' ' O ' ' A' ' 5' ' ' ASN . 6.1 mm -33.59 -69.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' NZ ' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -39.02 -60.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 4' ' ' ASN . 8.9 tp10 -45.27 -46.39 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.45 -38.62 90.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.93 -48.8 78.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -48.9 -62.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 8.6 m -37.73 -41.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 4.2 m-30 -78.91 140.75 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CE1' ' SG ' ' A' ' 99' ' ' CYS . 2.4 t80 75.99 -48.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.01 -33.66 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.47 5.21 40.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.72 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' OE2' ' A' ' 23' ' ' GLU . 5.4 p -50.67 174.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.23 -85.94 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -46.56 167.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -86.47 -29.17 22.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -80.55 -4.32 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -38.99 -39.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 3.2 mpt_? -68.04 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 8.8 mt -46.38 -28.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -39.93 18.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.5 t80 -57.93 -65.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -36.18 -33.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -80.1 -73.43 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -34.52 -36.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.54 ' CG2' ' HB2' ' A' ' 106' ' ' HIS . 12.2 m -46.42 -44.54 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -116.85 32.12 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -172.01 73.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 35' ' ' ASP . 31.4 t -151.93 -98.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' HG ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -171.28 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' CB ' ' A' ' 39' ' ' SER . 4.0 t -140.27 -173.28 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.18 -43.46 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 30.1 t -72.8 -2.22 19.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.42 ' CB ' HG23 ' A' ' 36' ' ' THR . 1.5 m -93.09 -35.98 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -40.62 152.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -45.89 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.654 ' CG1' ' CE1' ' A' ' 103' ' ' PHE . 4.9 p -50.23 128.36 23.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.96 151.64 39.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 13.7 mt -81.45 -30.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -42.79 -57.54 4.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.58 HG22 ' CE2' ' A' ' 103' ' ' PHE . 16.3 mm -50.86 -35.94 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -64.54 -21.01 66.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -87.02 -26.15 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -88.66 -25.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -60.71 -23.22 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.06 -25.26 63.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.5 tp -53.13 -32.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 59' ' ' GLN . 3.1 p -107.96 28.58 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -55.64 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.12 -177.68 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 61' ' ' ILE . 2.3 mm-40 -80.36 -50.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.4 m120 -37.06 -33.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 52.1 mm-40 -74.66 -64.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.56 -38.9 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 57' ' ' GLU . 1.6 mp -61.26 -65.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -55.73 -36.93 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 110' ' ' LEU . 63.7 mt -58.31 -52.2 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -59.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.22 76.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -44.45 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.61 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.98 -49.63 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -41.14 -31.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.92 -54.54 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.592 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -46.9 -50.26 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.89 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.6 m -61.19 -41.25 96.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 126' ' ' ILE . 0.6 OUTLIER -40.12 -34.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.97 62.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.17 -39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' SER . 41.8 t -36.65 111.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.04 47.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.18 -67.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -103.44 55.09 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.05 -124.43 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -178.84 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.783 ' CE1' ' CD1' ' A' ' 133' ' ' TYR . 1.5 m-85 -108.92 159.15 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.07 -31.62 19.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.484 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -51.11 -55.44 17.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.9 p -48.89 -26.92 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -83.95 47.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -140.82 -43.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 t -45.81 -51.86 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -92.9 -42.61 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -89.35 78.38 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 29.8 p -90.53 -52.23 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.5 mt-10 -46.84 -47.56 52.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.99 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASN . . . -59.25 -19.31 44.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 0.9 OUTLIER -77.56 -51.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.508 ' CD1' ' NZ ' ' A' ' 7' ' ' LYS . 1.5 mp -57.21 -39.73 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.669 ' CE1' ' CZ ' ' A' ' 123' ' ' TYR . 5.2 t80 -70.36 -35.37 73.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 14' ' ' PHE . 7.5 t -57.43 -58.22 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.575 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 1.7 t -54.08 -48.38 64.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 63' ' ' ILE . 4.0 mm -58.88 -52.54 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -34.99 -66.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.654 ' CE1' ' CG1' ' A' ' 42' ' ' VAL . 21.4 t80 -55.65 -60.95 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 103' ' ' PHE . 10.2 mt -34.98 -35.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.498 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 3.5 m-85 -90.35 -48.26 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.745 ' CE1' ' HB2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -37.14 -58.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.745 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 17.2 m-85 -167.76 49.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.19 3.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.533 ' CE1' HG22 ' A' ' 51' ' ' ILE . 13.5 m-85 -129.21 -26.03 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.8 mt -48.57 140.19 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -150.28 161.63 42.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 112' ' ' ASP . 12.4 t0 -162.21 111.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -108.75 140.81 41.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.68 -55.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.58 176.87 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 51.51 95.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 tp -120.26 168.65 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.589 HG22 ' CE1' ' A' ' 123' ' ' TYR . 13.5 mm -42.57 -66.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -43.52 -44.8 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.43 ' O ' ' NZ ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -55.61 -51.49 67.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -65.25 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.669 ' CZ ' ' CE1' ' A' ' 98' ' ' PHE . 6.3 m-85 -41.28 -32.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.44 -41.42 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' ALA . 2.5 t -51.16 -27.38 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 74' ' ' LEU . 7.6 mt -92.69 -60.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 102' ' ' TYR . . . -38.95 -30.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -85.1 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 33.0 t30 -51.27 -47.91 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.484 HD11 ' CB ' ' A' ' 85' ' ' ALA . 1.3 tt -55.67 -31.18 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -75.93 -2.48 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.4 t0 -74.63 -27.26 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 83' ' ' TYR . 5.7 m-85 -97.69 -28.29 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 25' ' ' LEU . 33.6 mt -68.87 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -91.04 49.78 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.63 36.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' CB ' ' OE2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 169.87 121.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 55.23 -178.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 58.44 161.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 59.6 m-20 -136.66 -61.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.2 mm -56.56 -80.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' CD ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -43.61 -39.91 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' OE2' ' CB ' ' A' ' 1' ' ' MET . 5.8 tp10 -61.32 -42.15 98.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 5' ' ' ASN . 4.2 mm-40 -57.01 -35.12 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.76 -42.98 85.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.444 HG13 ' CD1' ' A' ' 96' ' ' ILE . 1.1 mp -50.53 -68.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 11' ' ' ILE . 13.4 t -41.47 -58.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.4 m-30 -45.53 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -45.56 -41.02 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 34.3 t-20 -58.2 -33.25 69.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.7 mm100 -73.86 -3.86 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.23 -73.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.87 -164.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.43 -81.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -41.51 157.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.441 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -81.53 -35.7 30.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.11 14.11 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.22 -41.12 71.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 1.5 ptm85 -61.3 -31.46 71.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 6.1 mt -70.51 -40.83 73.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -10.8 59.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 103' ' ' PHE . 55.2 t80 -88.96 -61.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.48 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -83.05 -69.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -44.4 -49.86 9.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.607 ' CG2' ' CG ' ' A' ' 106' ' ' HIS . 24.5 m -37.74 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -135.8 31.94 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -149.19 35.36 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -132.43 -104.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -113.95 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 17.2 m-85 -122.68 0.56 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -96.52 -5.03 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' C ' ' A' ' 40' ' ' VAL . 38.0 t -108.58 -73.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 39' ' ' SER . 80.3 t 22.95 -109.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.49 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 5.7 t70 -151.56 32.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -158.19 131.88 4.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 150.91 38.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 12.7 mt -81.18 -29.23 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -44.2 -58.69 4.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.04 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 51' ' ' ILE . 17.9 mm -46.99 -49.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -48.86 -26.02 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.6 t-20 -77.86 -39.14 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 47' ' ' ILE . 1.3 pt -83.25 0.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 47' ' ' ILE . 17.7 mt -94.55 -26.38 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 41.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.93 -34.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.441 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 2.2 p -95.17 29.49 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -67.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.29 163.76 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -79.46 -27.57 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 83.1 m-20 -61.04 -45.07 96.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -62.73 -54.14 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -43.96 -41.32 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 62' ' ' GLU . 4.9 mt -62.87 -74.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' C ' HG22 ' A' ' 66' ' ' ILE . 33.2 mt-10 -37.84 -56.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.603 ' O ' HG12 ' A' ' 66' ' ' ILE . 94.1 mt -40.91 -65.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -34.71 -35.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ILE . 7.5 mttt -83.62 -48.62 10.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -50.24 -27.33 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -47.34 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 119' ' ' ILE . 33.8 t -62.57 -54.54 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -41.08 -31.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.3 m-20 -84.38 -45.12 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -59.83 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -26.89 29.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -88.71 -33.32 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 98' ' ' PHE . 2.3 mt -63.26 -12.99 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 52.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.14 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' SER . 2.5 t 55.38 168.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.19 134.17 50.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.26 6.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 p -67.3 77.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.04 98.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.37 88.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.07 172.9 10.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.441 ' SD ' ' CD2' ' A' ' 74' ' ' LEU . 6.8 tpt -56.46 -23.5 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . . . -63.06 -45.76 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -43.36 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.15 53.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.62 ' CD2' ' CB ' ' A' ' 95' ' ' ALA . 44.0 t80 -152.66 -43.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -67.84 -39.56 83.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -59.71 -62.37 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.508 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 84.1 m-20 -106.25 117.31 33.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -40.43 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.577 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.6 mp0 -42.15 -50.94 10.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.62 ' CB ' ' CD2' ' A' ' 88' ' ' PHE . . . -51.02 -28.33 9.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.444 ' CD1' HG13 ' A' ' 11' ' ' ILE . 4.8 mt -71.78 -57.46 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.463 HD13 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.32 -51.78 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -45.4 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -41.03 -64.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.7 t -40.23 -49.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.554 HG21 ' CE2' ' A' ' 123' ' ' TYR . 9.1 mm -63.56 -56.2 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -50.81 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 m-30 -36.14 -53.78 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 109' ' ' PHE . 65.9 mt -48.16 -53.73 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.6 m-85 -66.03 -48.0 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.607 ' CG ' ' CG2' ' A' ' 31' ' ' THR . 0.2 OUTLIER -46.58 -50.73 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 33.4 m-85 -79.65 -62.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.92 92.61 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.456 ' CE1' HG22 ' A' ' 51' ' ' ILE . 65.4 m-85 -148.36 -63.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.3 mt -53.11 143.5 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 123.59 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.95 91.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -128.25 127.85 43.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 t30 175.14 141.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -82.47 55.94 3.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -159.83 168.58 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.28 98.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -104.28 -171.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 123' ' ' TYR . 14.4 mm -52.69 -74.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -40.84 -41.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -56.6 -50.16 72.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -70.75 -62.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.563 ' CD1' HD13 ' A' ' 71' ' ' ILE . 5.0 m-85 -38.84 -48.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.65 -37.8 85.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -53.59 -28.11 30.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.447 ' C ' ' N ' ' A' ' 128' ' ' ASP . 10.1 mt -90.89 -62.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.89 -28.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.447 ' N ' ' C ' ' A' ' 126' ' ' ILE . 28.7 m-20 -83.3 -53.16 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 28' ' ' ILE . 1.5 tt -58.23 -21.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -86.68 2.86 47.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.48 -28.4 22.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -99.09 -12.95 20.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.28 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 61.08 74.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.15 52.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.485 ' SD ' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.535 0.207 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' HB3' ' CG2' ' A' ' 6' ' ' ILE . 1.0 OUTLIER 171.19 108.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -38.52 158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 6.1 t-20 90.51 166.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' ASN . 4.7 m120 -39.13 -31.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.5 mp -40.49 -72.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -32.77 -68.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -45.9 -46.51 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -61.2 -41.71 97.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 1' ' ' MET . 17.4 mt -62.57 -52.46 63.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' CD1' ' HG3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -38.86 -52.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -54.08 -62.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' ND2' ' A' ' 49' ' ' ASN . 3.5 m-30 -39.74 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 100' ' ' VAL . 34.2 t80 -45.1 -26.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t30 -68.65 -40.25 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -71.21 -13.48 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.52 -71.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' SG ' ' CZ ' ' A' ' 27' ' ' PHE . 2.0 t -51.45 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.81 -85.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 p -93.95 -162.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.71 -54.77 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.64 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.18 -43.92 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -54.33 32.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD2' ' HB1' ' A' ' 85' ' ' ALA . 12.0 mt -62.92 -17.63 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.94 -27.39 33.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 m-30 -73.09 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 1.3 pt -38.33 -30.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.37 -52.1 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.8 t -57.61 -62.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 27' ' ' PHE . 20.1 m -38.81 -60.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -36.21 61.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' SER . 2.0 mm-40 -97.88 33.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -154.6 83.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -27.18 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 14.7 t -95.06 -169.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -125.58 -1.17 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -99.41 -0.52 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -13.86 21.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.66 160.63 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.33 -53.73 15.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 4.6 p -41.49 138.67 1.57 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 148.51 35.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 31.5 mt -81.86 -39.59 23.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.2 mt-10 -36.36 -57.14 1.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.97 -52.47 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ILE . 7.9 mm -44.7 -54.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -44.49 -26.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CE2' ' A' ' 13' ' ' PHE . 23.7 t-20 -75.71 -44.79 40.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' ILE . 2.7 pt -78.36 0.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.581 HG22 ' CD1' ' A' ' 109' ' ' PHE . 46.6 mt -90.3 -31.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.15 46.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -131.55 -48.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 63' ' ' ILE . 18.1 p -86.44 13.12 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.42 -64.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.83 134.9 20.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -62.31 -28.73 69.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -19.58 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -43.37 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -59.28 -35.32 73.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mt -65.74 -64.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' OE2' ' OE2' ' A' ' 2' ' ' GLU . 11.6 pt-20 -54.12 -33.09 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CG2' HD22 ' A' ' 110' ' ' LEU . 31.9 mt -63.02 -45.94 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -50.53 -54.18 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.19 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -62.21 -48.78 86.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HG22 ' A' ' 119' ' ' ILE . . . -52.45 -44.15 65.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 119' ' ' ILE . 29.2 t -59.99 -42.57 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -44.83 -67.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -58.94 -50.97 72.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 74' ' ' LEU . 1.2 mm -46.02 -68.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -40.06 -40.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 75' ' ' SER . 5.0 m -67.2 -46.82 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ILE . 3.6 mt -43.01 -27.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -68.34 64.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -169.6 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 87' ' ' PHE . 40.9 t -40.72 105.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.15 -133.48 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.16 -53.46 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -132.03 26.26 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.5 100.98 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -128.43 -70.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -134.56 132.83 39.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.468 ' HG3' ' CG2' ' A' ' 126' ' ' ILE . 4.6 mmt -105.11 -5.4 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.499 ' CB ' HD13 ' A' ' 130' ' ' ILE . . . -75.54 -43.06 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -54.88 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.614 ' O ' ' N ' ' A' ' 89' ' ' SER . 3.5 m-30 -56.48 -101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ASN . 53.2 t80 46.45 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -40.1 -50.5 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.6 p -51.84 -41.12 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 31.9 p-10 -144.08 94.39 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -81.48 -44.19 17.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 5.6 mm-40 -35.42 -55.07 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.1 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.91 -27.86 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 99' ' ' CYS . 1.7 mt -74.02 -65.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.485 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 1.4 mp -45.0 -30.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.34 -41.08 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 96' ' ' ILE . 2.3 t -70.14 -62.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.568 HG22 ' CD2' ' A' ' 14' ' ' PHE . 2.2 t -44.26 -71.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 123' ' ' TYR . 7.1 mm -37.62 -64.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 106' ' ' HIS . 22.7 t80 -45.17 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.489 ' N ' ' CD2' ' A' ' 102' ' ' TYR . 50.1 t80 -36.21 -43.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 108' ' ' GLY . 33.6 mt -67.47 -76.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.516 ' CE2' HG23 ' A' ' 119' ' ' ILE . 1.4 m-85 -35.48 -61.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -38.13 -62.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 m-85 -161.82 79.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -149.44 -103.98 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.581 ' CD1' HG22 ' A' ' 51' ' ' ILE . 4.0 m-85 -124.93 -38.73 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 111.038 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.8 mt -49.77 139.06 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 116.73 8.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -108.92 123.35 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -169.34 91.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -166.41 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -101.49 -49.83 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.82 172.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -111.64 26.17 10.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -48.09 -29.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.606 HG21 ' CE2' ' A' ' 123' ' ' TYR . 1.4 mm -58.53 -29.95 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -29.85 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.07 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -79.55 -67.33 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.606 ' CE2' HG21 ' A' ' 119' ' ' ILE . 3.2 m-85 -42.42 -37.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -71.67 -38.87 70.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -54.47 -28.94 48.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 84' ' ' MET . 7.3 mt -91.77 -61.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.28 -25.65 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 126' ' ' ILE . 43.2 t0 -83.87 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -46.15 53.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.499 HD13 ' CB ' ' A' ' 85' ' ' ALA . 2.8 tt -60.33 -27.66 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -89.88 4.91 48.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -84.37 -41.14 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 133' ' ' TYR . 0.7 OUTLIER -91.97 -1.71 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.1 mt -65.47 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.35 91.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -153.17 36.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.581 ' H1 ' ' NE2' ' A' ' 3' ' ' GLN . 10.4 mtm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.518 0.199 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.8 OUTLIER 64.94 75.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.581 ' NE2' ' H1 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 163.94 171.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' N ' ' HB2' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 177.06 142.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.523 ' O ' ' C ' ' A' ' 6' ' ' ILE . 5.4 t30 67.98 -157.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' C ' ' O ' ' A' ' 5' ' ' ASN . 4.3 mm -30.83 -66.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -37.0 -56.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' ASN . 42.8 tt0 -53.22 -53.38 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -46.81 -46.58 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 53' ' ' ILE . 12.8 mt -61.87 -45.96 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.2 mp -61.97 -59.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -29.9 -57.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CB ' HG23 ' A' ' 50' ' ' ILE . 6.3 m-30 -49.27 -64.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 27.2 t80 -60.54 -24.93 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 4.8 t-20 -57.36 -37.2 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 3.3 pt20 -85.37 37.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . . . -144.23 -77.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -126.0 124.32 40.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.323 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.3 p -128.38 -47.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 23' ' ' GLU . 77.8 p -36.88 149.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 11.0 m-70 -83.76 -61.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -43.43 -26.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' OG1' ' A' ' 20' ' ' THR . 12.8 tp10 -64.73 -48.86 73.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -45.98 -54.84 7.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 134' ' ' LEU . 7.0 mt -58.59 -36.9 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -9.62 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -85.56 -64.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.479 ' CG2' ' HB1' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -38.52 -30.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.42 -63.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' THR . 2.9 m -49.2 -56.41 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.543 HG22 ' CG ' ' A' ' 106' ' ' HIS . 3.0 m -36.96 -40.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.462 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 41.86 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -169.02 58.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -147.17 -102.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.64 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 13.8 t -124.57 -145.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' N ' ' CG2' ' A' ' 36' ' ' THR . 3.7 m-85 -107.37 -44.26 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -76.56 0.85 18.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.409 ' OG ' ' CG2' ' A' ' 36' ' ' THR . 72.9 m -87.97 -21.56 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 59.7 t -60.02 -115.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.429 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 4.7 t0 -142.09 -56.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 2.8 p -54.06 134.79 58.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 149.81 37.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.28 -32.82 33.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.536 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -41.37 -58.55 2.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.562 HG21 ' CE2' ' A' ' 103' ' ' PHE . 3.6 mm -45.3 -50.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -26.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' PRO . 16.2 t-20 -78.24 -44.3 25.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 47' ' ' ILE . 1.4 pt -74.8 -6.97 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -85.1 -28.21 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -15.68 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -53.11 -31.55 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 55' ' ' LYS . 30.9 p -100.81 -89.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' N ' ' OG1' ' A' ' 54' ' ' THR . 29.4 mmmt 40.92 44.87 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.56 166.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.4 pm0 -83.65 -33.75 25.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -52.8 -54.86 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 54' ' ' THR . 24.3 mm-40 -64.63 -47.1 79.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 111' ' ' LYS . 13.5 tt0 -53.02 -39.82 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.96 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -28.17 65.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 110' ' ' LEU . 44.7 mt -69.61 -43.22 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.7 -56.86 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.63 74.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -47.95 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.12 86.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 119' ' ' ILE . 44.0 t -60.46 -40.13 83.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -45.52 -26.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' VAL . 7.8 m-80 -99.94 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -53.42 -46.18 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -57.84 -31.96 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.65 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.402 ' CD1' ' HE1' ' A' ' 84' ' ' MET . 2.0 mt -54.75 -31.35 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 98.1 p -73.61 58.49 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.509 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -170.4 -37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 HG12 ' CG ' ' A' ' 87' ' ' PHE . 22.8 t -32.44 98.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 79' ' ' ALA . . . -134.07 -135.75 3.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 78' ' ' GLY . . . 85.12 -47.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.7 t -146.68 50.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -95.51 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' TYR . 3.6 mt-30 -152.35 -77.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.589 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 7.2 m-85 35.42 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.637 ' CE ' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -74.53 -31.27 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.499 ' HA ' ' CD2' ' A' ' 88' ' ' PHE . . . -54.0 -45.34 71.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -69.95 -22.8 63.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CG ' HG12 ' A' ' 77' ' ' VAL . 2.1 t80 -90.25 44.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 84' ' ' MET . 5.4 m-85 -130.95 -41.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 t -46.0 -46.87 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 30.0 p -68.92 -67.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.523 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 4.5 m-20 -84.82 97.2 9.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.445 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -89.14 -44.57 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 9.0 mt-10 -42.35 -48.74 12.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.04 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.09 -35.35 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 ' CG2' ' CG1' ' A' ' 11' ' ' ILE . 2.7 mt -67.53 -53.29 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.555 ' CD1' ' HE2' ' A' ' 7' ' ' LYS . 1.5 mp -60.94 -43.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.637 ' CZ ' ' CE ' ' A' ' 84' ' ' MET . 1.1 m-85 -43.6 -63.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.69 -53.66 14.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 14' ' ' PHE . 2.0 t -50.54 -76.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 123' ' ' TYR . 2.9 mm -44.4 -62.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.762 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 92.5 t80 -31.82 -59.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.562 ' CE2' HG21 ' A' ' 47' ' ' ILE . 11.9 t80 -57.4 -47.73 80.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 22.7 mt -48.97 -34.6 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 8.8 m-85 -87.98 -60.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.762 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 1.1 m-70 -39.12 -58.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 51.7 m-85 -162.78 77.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.72 -106.54 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 51' ' ' ILE . 7.7 m-85 -127.35 -35.0 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.583 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 4.1 mt -48.7 156.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 22.7 mttt -149.53 134.45 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.43 102.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 171.69 123.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.65 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -89.96 -71.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 -171.59 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -40.71 136.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.06 -159.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 123' ' ' TYR . 7.5 mm -48.92 -70.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ILE . 11.0 ttpp -38.02 -44.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -51.99 54.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.71 -65.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 119' ' ' ILE . 1.7 m-85 -38.02 -49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.46 -38.22 77.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -52.96 -29.51 29.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.434 ' C ' ' N ' ' A' ' 128' ' ' ASP . 3.9 mt -92.93 -55.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 28' ' ' ILE . . . -41.74 -27.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 131' ' ' ALA . 5.4 t0 -89.27 -60.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -51.41 -35.3 38.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 133' ' ' TYR . 1.5 tt -65.96 -23.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.472 ' HA ' ' CD1' ' A' ' 134' ' ' LEU . . . -75.57 2.08 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.6 -49.43 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.589 ' CE1' ' HA ' ' A' ' 83' ' ' TYR . 6.3 p90 -108.54 37.79 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.498 ' CD2' ' CD1' ' A' ' 25' ' ' LEU . 4.0 mt -91.17 -81.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -178.5 93.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.18 67.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' N ' HG23 ' A' ' 11' ' ' ILE . 2.8 tpt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.524 0.202 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -165.17 72.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.05 -161.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 2.8 m-20 -167.55 145.81 4.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 4.1 m-20 83.72 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.8 mp -36.63 -68.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.4 -53.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.16 -49.43 75.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -53.94 -46.6 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.68 -41.98 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.4 mp -62.02 -64.1 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -38.02 -48.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.3 m-85 -57.02 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -44.21 -29.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.55 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 t30 -59.98 -34.66 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.0 mm-40 -71.93 -7.42 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . . . -98.27 -81.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.613 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 28.6 p -96.53 145.66 25.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 99.1 p -132.79 -45.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 5.1 p -37.22 152.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -40.75 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASP . 3.2 mm-40 -78.76 3.23 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -26.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.17 -64.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD2' ' HB1' ' A' ' 85' ' ' ALA . 14.3 mt -54.86 -22.36 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 30' ' ' SER . 69.2 m-20 -85.49 -22.71 28.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.778 ' CD1' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -76.45 -48.04 20.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.592 HG23 ' CZ ' ' A' ' 27' ' ' PHE . 4.6 pt -52.23 -31.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.48 -59.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 72.7 m -48.07 -50.64 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.55 HG21 ' CD2' ' A' ' 106' ' ' HIS . 57.6 m -63.31 -8.38 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -138.39 31.01 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 2.8 tt0 -171.28 74.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HG ' ' N ' ' A' ' 35' ' ' ASP . 38.9 t -158.31 -104.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' N ' ' HG ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -172.34 -54.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.3 t -126.54 -163.75 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 26.3 m-85 -99.4 -23.49 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -86.99 6.02 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -102.11 -33.06 9.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.065 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 56.8 t -44.75 165.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 8.7 t70 -79.92 63.71 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 5.0 p -174.82 132.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.98 143.07 28.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 38.1 mt -82.09 -15.13 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -58.26 -58.92 15.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.98 -43.76 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.578 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.4 mm -51.42 -40.65 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -59.79 -16.56 29.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 t30 -88.49 -33.88 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 100' ' ' VAL . 0.9 OUTLIER -84.53 -14.74 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.9 mt -79.12 -23.06 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 4.8 pt-20 -66.36 -19.14 65.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -51.04 -28.98 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.574 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 8.4 p -105.39 23.39 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -58.59 -57.31 13.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.02 154.7 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.29 -32.89 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.6 -33.15 69.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 85.7 mm-40 -64.87 -55.63 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -43.61 -48.2 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' GLU . 2.5 mt -56.17 -74.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 66' ' ' ILE . 2.2 mm-40 -37.74 -57.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.582 ' O ' HG12 ' A' ' 66' ' ' ILE . 90.0 mt -40.24 -63.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -35.04 -36.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.59 -47.05 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -53.57 -25.74 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 119' ' ' ILE . . . -79.33 -48.18 14.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 119' ' ' ILE . 47.3 t -59.22 -48.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.3 t-20 -39.26 -42.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' THR . 62.0 t30 -81.91 -57.5 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -42.94 -54.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.58 -43.34 17.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -68.32 -33.59 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 126' ' ' ILE . 3.5 mt -58.43 -17.5 21.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.1 m -86.06 46.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.08 -67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.51 HG12 ' CG ' ' A' ' 87' ' ' PHE . 3.8 t 41.19 85.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.08 -95.79 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.27 -65.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -159.48 161.39 35.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.29 73.87 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.29 87.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 133' ' ' TYR . 19.0 m-85 -38.46 148.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.595 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 17.5 mmt -73.48 -3.96 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' A' ' 130' ' ' ILE . . . -73.7 -45.01 54.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . 32.1 t -60.64 -52.35 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CG ' HG12 ' A' ' 77' ' ' VAL . 9.5 t80 -45.23 -45.13 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.1 m-85 -65.69 -25.69 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.4 t -76.74 -51.28 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.0 p -50.78 -44.0 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 40.5 m-80 -121.36 100.91 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 38.4 m -87.48 -13.44 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -69.0 -51.75 17.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -39.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.71 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 92' ' ' SER . 13.0 mt -67.48 -62.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -46.27 -50.88 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.721 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -65.17 -23.71 67.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -60.99 -40.98 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 50' ' ' ILE . 2.1 t -72.35 -36.42 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.509 HD13 ' CG1' ' A' ' 66' ' ' ILE . 36.4 mm -54.38 -69.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.778 ' CZ ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -44.29 -49.97 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.673 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 1.9 t80 -44.06 -65.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' PHE . 5.0 mt -44.0 -56.73 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.4 m-85 -54.84 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.55 ' CD2' HG21 ' A' ' 31' ' ' THR . 14.9 m80 -47.66 -43.61 26.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 37' ' ' PHE . 11.1 m-85 -86.63 24.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 39.64 73.29 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -138.36 -47.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -69.81 132.36 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -77.81 156.15 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -170.06 125.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.482 ' O ' ' CB ' ' A' ' 114' ' ' ASN . 9.5 t30 -86.14 167.93 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 2.0 t-20 80.39 -62.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.93 60.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 118' ' ' ILE . 2.9 tttp -175.32 132.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 116' ' ' LYS . 27.3 pt20 37.54 31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -89.41 -165.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.601 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 8.2 mm -52.27 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -40.2 -34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -70.99 -51.22 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.47 ' CB ' HD11 ' A' ' 71' ' ' ILE . . . -55.16 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.721 ' CD1' ' CE1' ' A' ' 98' ' ' PHE . 6.7 m-85 -41.18 -44.97 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -37.32 84.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.06 -31.98 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 74' ' ' LEU . 8.9 mt -87.6 -60.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 130' ' ' ILE . . . -41.06 -29.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 126' ' ' ILE . 3.8 t70 -82.01 -49.61 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 126' ' ' ILE . 2.5 t-20 -62.47 -53.25 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.477 HD12 ' CB ' ' A' ' 85' ' ' ALA . 3.9 tt -56.58 -32.69 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -73.29 -4.26 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.7 t70 -84.2 -36.24 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -85.6 -23.43 27.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 30.5 mt -47.88 -79.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 51.83 82.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.96 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.495 0.188 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 173.06 167.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 173.11 -171.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.0 t-20 -60.33 -163.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -108.76 -64.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.51 -70.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' CG ' HG12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.81 -43.78 18.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 5.2 tp10 -60.5 -45.57 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.31 -39.18 60.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 53' ' ' ILE . 10.8 mt -60.47 -58.93 6.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.445 ' CD1' ' HE3' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -42.44 -57.78 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -38.43 -62.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 21.1 m-85 -55.63 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CE2' HG12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -39.77 -45.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -50.59 -44.75 57.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 8.5 pt20 -85.83 43.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.95 -74.21 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.04 128.49 56.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -110.59 -58.03 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.8 p -37.33 155.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -100.18 -58.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -45.09 -28.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -51.47 -34.46 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.44 -60.41 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 6.7 mt -53.69 -23.1 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.1 -25.58 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -70.17 -57.49 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -39.39 -29.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -90.25 -70.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -38.96 -47.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 14.7 m -36.19 -46.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -116.0 40.66 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -156.38 46.71 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -127.23 -106.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.85 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.586 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 11.1 t -112.67 -19.15 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 78.33 -40.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.37 -9.32 32.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -21.6 23.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 27' ' ' PHE . 42.2 t -45.56 158.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.751 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 26.0 t0 -49.03 154.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.751 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 95.74 134.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.0 148.57 35.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.83 -12.85 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -59.93 -56.6 34.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.95 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 50' ' ' ILE . 7.7 mm -43.18 -54.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -27.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.577 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.14 -42.68 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ILE . 2.5 pt -83.59 8.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 109' ' ' PHE . 1.8 mt -100.67 -25.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.27 13.61 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -93.79 -19.77 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 p -115.1 22.42 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -72.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.98 147.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -67.86 -29.93 69.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 18.1 m120 -66.17 -33.14 75.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.5 -57.26 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -46.57 -42.7 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 37.7 mt -64.09 -72.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 1.1 tt0 -46.19 -25.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.499 HG23 ' CD1' ' A' ' 110' ' ' LEU . 34.6 mt -77.19 -43.23 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -50.85 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -57.67 -36.53 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.09 -42.2 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.78 -42.44 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.451 ' CG2' HD13 ' A' ' 119' ' ' ILE . 45.8 t -59.63 -38.93 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -50.77 -22.69 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -93.2 -40.41 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -66.88 -51.58 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.173 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -55.43 -45.83 76.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 m -66.29 -37.39 85.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 126' ' ' ILE . 2.1 mt -50.2 -33.19 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 61.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' VAL . 22.9 t -170.0 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 20.8 t -37.97 129.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.21 -161.24 52.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.89 -51.61 5.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 p -127.48 51.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 45.21 76.05 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.52 -89.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 0.9 OUTLIER -112.89 134.76 54.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.411 ' HG3' ' CD2' ' A' ' 74' ' ' LEU . 47.6 ttp -77.35 -23.76 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ALA . 29.1 t -36.68 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 89' ' ' SER . 7.5 t80 -84.14 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASN . 3.7 m-30 50.28 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -38.31 -45.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.456 ' OG1' ' CD1' ' A' ' 87' ' ' PHE . 70.2 p -61.61 -47.71 84.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.534 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 10.7 t-20 -132.91 99.18 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -82.0 -38.73 24.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.633 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 6.4 mm-40 -38.17 -52.34 3.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.633 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.96 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.51 -24.66 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.562 HG12 ' CE2' ' A' ' 14' ' ' PHE . 13.9 mt -75.79 -58.44 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.475 HG12 ' CG ' ' A' ' 7' ' ' LYS . 1.3 mp -56.91 -41.27 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.623 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 9.6 m-30 -62.98 -60.56 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.448 ' SG ' ' NH1' ' A' ' 24' ' ' ARG . 4.8 m -41.5 -57.36 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.452 ' CG2' HD11 ' A' ' 50' ' ' ILE . 1.6 t -45.89 -44.86 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.537 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 2.6 mm -65.9 -43.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.816 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 8.1 m-85 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' PHE . 1.5 t80 -48.71 -38.82 22.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 108' ' ' GLY . 12.9 mt -68.66 -75.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CE1' ' OD2' ' A' ' 112' ' ' ASP . 4.2 m-85 -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 42.6 m170 -56.47 -51.39 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 30.2 p90 -170.49 67.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -135.37 -108.64 0.97 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 51' ' ' ILE . 10.0 m-85 -129.74 -37.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.639 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 2.5 mt -48.18 149.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.72 150.46 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.662 ' OD2' ' CE1' ' A' ' 105' ' ' TYR . 2.0 m-20 -148.87 67.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.14 -173.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -170.16 95.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -114.15 -172.01 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.33 128.56 37.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.483 ' CG2' ' HG2' ' A' ' 120' ' ' LYS . 0.2 OUTLIER -141.31 -159.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 123' ' ' TYR . 12.5 mm -64.73 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 12.7 ptmm? -37.13 -33.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.99 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.6 -61.54 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.816 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.6 m-85 -36.46 -43.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.68 -42.86 60.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.47 -29.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 74' ' ' LEU . 19.1 mt -93.51 -63.48 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.04 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -88.1 -58.13 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -48.82 -45.76 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.57 ' HA ' ' CE2' ' A' ' 133' ' ' TYR . 8.3 tt -56.52 -28.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.14 -2.96 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -86.81 -26.1 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -95.88 -24.48 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.84 -69.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.8 -59.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 71.18 83.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.47 0.176 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.43 -79.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 49.05 50.49 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 6.8 p-10 -100.91 -177.38 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 1.2 m-20 162.86 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.4 mm -50.38 -43.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' CE ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -59.96 -40.68 89.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.98 -29.59 69.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.579 ' CG ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -70.87 -25.33 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 9.1 mt -73.32 -44.93 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.6 mp -60.36 -66.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -36.31 -49.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 1.5 m-85 -57.44 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -42.28 -36.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.0 t-20 -52.54 -36.78 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.8 mt-30 -71.08 -4.94 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.68 -77.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -129.54 97.45 4.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.4 p -100.93 -56.97 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' SER . 2.5 p -38.54 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.6 m170 -71.77 -64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -38.62 -45.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -47.87 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 0.6 OUTLIER -50.56 -63.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 15.7 mt -54.42 -20.2 7.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.17 -28.9 48.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ILE . 72.5 t80 -74.61 -65.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.571 HG23 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -34.85 -36.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -80.17 -59.55 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' THR . 26.0 p -44.26 -54.71 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.563 ' CG2' ' HB2' ' A' ' 106' ' ' HIS . 14.6 m -36.31 -45.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.95 31.53 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 1.2 tt0 -169.22 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -112.27 -93.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -169.88 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -121.02 -156.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 5.1 m-85 -133.39 5.92 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 1.1 t -137.44 25.07 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.75 18.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 41.9 t -58.46 164.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 28.5 t70 -39.2 -55.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 5.1 p -59.0 132.9 87.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 148.82 35.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 38' ' ' SER . 26.5 mt -82.19 -33.36 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -41.35 -58.28 3.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.03 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.702 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 9.1 mm -46.19 -54.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.83 -24.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -77.28 -42.97 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 HD11 ' CE2' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -72.46 -29.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG21 ' CE1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -54.77 -26.62 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.89 -11.64 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CG2' HG22 ' A' ' 54' ' ' THR . 2.5 tp -63.39 -40.09 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.477 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 11.5 p -105.1 22.85 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -49.88 -52.56 31.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.57 167.95 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -51.02 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' GLN . 26.2 p30 -49.42 -25.62 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.68 -51.71 38.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.02 -45.1 42.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -63.38 -63.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -26.52 16.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.483 HG21 ' CD1' ' A' ' 101' ' ' ILE . 19.2 mt -68.27 -49.67 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.82 -54.51 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -39.01 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.471 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mt -58.11 -45.99 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 119' ' ' ILE . . . -53.95 -47.81 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' HD11 ' A' ' 119' ' ' ILE . 36.4 t -53.29 -50.57 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 59.4 t30 -36.52 -54.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -80.4 -56.59 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.57 HD13 ' CD1' ' A' ' 123' ' ' TYR . 1.4 mm -38.8 -62.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -44.46 -43.08 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ASN . 34.6 m -70.02 -34.58 73.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 126' ' ' ILE . 1.4 mt -53.38 -20.24 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.0 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' A' ' 87' ' ' PHE . 82.7 t -88.88 110.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.61 153.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.42 -70.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -72.39 95.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.52 -140.0 14.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 83' ' ' TYR . 2.2 mt-30 -173.56 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.796 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.531 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 18.1 m-30 32.91 84.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 ttp -53.45 -36.37 61.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -45.01 -45.31 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.38 95.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CD2' HG11 ' A' ' 77' ' ' VAL . 2.4 t80 -80.62 50.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 2.2 t80 -140.36 -43.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -51.48 21.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -81.36 -36.78 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 m-20 -108.82 77.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 58.6 p -90.65 -51.55 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -47.15 -47.62 55.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.98 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.01 -18.21 22.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 2.9 mt -78.26 -66.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.455 HD13 ' CE ' ' A' ' 7' ' ' LYS . 1.4 mp -39.55 -42.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 5.4 m-30 -68.96 -45.33 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.501 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.8 t -46.99 -55.06 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.3 t -50.33 -52.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.6 HG21 ' CE2' ' A' ' 123' ' ' TYR . 11.8 mm -49.58 -65.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CE2' HG23 ' A' ' 28' ' ' ILE . 8.5 t80 -39.44 -45.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -62.78 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 11.4 mt -39.28 -30.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 4.9 m-85 -83.9 -46.32 12.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.701 ' O ' ' CD1' ' A' ' 107' ' ' PHE . 0.7 OUTLIER -39.72 -61.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.648 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 27.0 m-85 -165.84 35.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.86 -106.77 2.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CE1' HG21 ' A' ' 51' ' ' ILE . 8.7 m-85 -125.03 -34.64 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.9 mt -48.5 137.59 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -106.09 133.73 50.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.539 ' HB2' ' CD1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -157.54 92.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 113' ' ' ASN . 5.8 p-10 168.84 73.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -173.85 -66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -122.69 -67.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -97.05 67.36 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' N ' ' A' ' 119' ' ' ILE . 14.7 pt20 -101.42 -10.38 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.413 HG13 HD13 ' A' ' 119' ' ' ILE . 0.3 OUTLIER -47.85 -24.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.614 HG23 ' CE2' ' A' ' 123' ' ' TYR . 1.3 mm -60.72 -28.29 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -29.28 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -28.75 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -79.33 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.614 ' CE2' HG23 ' A' ' 119' ' ' ILE . 7.8 m-85 -41.97 -36.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -72.9 -39.7 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.32 -27.09 44.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 74' ' ' LEU . 9.0 mt -94.01 -59.81 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.52 -26.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' ALA . 24.8 t0 -86.89 -62.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -48.71 -45.36 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.504 HD11 ' CB ' ' A' ' 85' ' ' ALA . 6.1 tt -59.61 -28.0 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -87.01 2.22 50.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -85.22 -46.61 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.531 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 1.3 p90 -88.57 3.29 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.21 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.0 t30 178.14 70.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 49.8 61.52 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.505 0.193 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -156.79 85.68 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.432 ' CG ' ' HG3' ' A' ' 93' ' ' GLU . 3.4 mp0 53.02 172.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 37.1 p-10 -178.23 137.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 7.7 t-20 83.73 -153.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' LYS . 26.6 mm -38.27 -66.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.92 -51.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.49 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 1.2 tt0 -62.01 -51.55 67.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.49 -39.85 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' ILE . 12.3 mt -64.07 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -39.56 -61.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.13 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CB ' HG23 ' A' ' 50' ' ' ILE . 19.5 m-30 -36.87 -67.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.05 -40.95 24.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.77 -43.93 90.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -85.64 45.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -153.77 -77.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.1 t -106.25 109.85 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.244 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -102.62 -48.81 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' SER . 39.9 p -36.01 154.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLU . 3.0 m80 -97.68 -83.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' HIS . 58.0 mt-30 -36.37 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -40.26 -50.18 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 7.3 mtm-85 -44.79 -64.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 85' ' ' ALA . 5.5 mt -48.5 -23.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -82.15 -38.5 24.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' ILE . 7.3 m-30 -59.54 -61.91 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 27' ' ' PHE . 1.9 pt -35.08 -35.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' PHE . 5.3 t -90.62 -73.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -37.12 -33.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 106' ' ' HIS . 23.8 m -77.75 47.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 22.69 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 90.0 p -117.55 -101.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' N ' ' OG ' ' A' ' 34' ' ' SER . 1.3 t0 -171.05 -51.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 8.3 t -127.04 -145.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.5 ' N ' ' CG2' ' A' ' 36' ' ' THR . 2.2 m-85 -118.67 -40.66 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.458 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.62 -9.08 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -88.23 -25.18 23.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 88.1 t -67.14 -110.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.599 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 7.6 t0 -144.26 -156.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.599 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 4.2 p 56.01 138.38 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 146.45 32.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 38' ' ' SER . 19.2 mt -82.9 -14.33 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.84 -58.25 20.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.94 -43.51 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 50' ' ' ILE . 11.6 mm -49.22 -48.52 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.96 -21.03 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 5.0 t-20 -79.11 -41.64 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 HG23 ' CB ' ' A' ' 13' ' ' PHE . 5.3 pt -82.55 1.89 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.458 ' CD1' ' HA2' ' A' ' 108' ' ' GLY . 1.9 mt -97.05 -21.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -83.92 37.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -116.2 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.488 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 3.0 p -96.77 -0.72 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -54.09 -52.52 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' GLN . 7.9 m-20 -56.84 168.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -84.34 -51.29 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.7 m-20 -56.77 -31.0 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 14.2 mm-40 -62.54 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -39.51 -43.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.5 -51.04 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.73 -28.77 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CD1' ' CG2' ' A' ' 54' ' ' THR . 75.1 mt -74.92 -43.54 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.83 -59.41 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -55.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.48 -42.56 54.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.5 t -66.67 -32.83 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.58 -33.02 74.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -89.61 -17.03 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -88.33 -51.63 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -46.97 -27.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 m -83.82 -36.06 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ILE . 9.9 mt -60.08 -22.22 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -1.2 23.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.7 p -144.24 60.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 74' ' ' LEU . 56.7 t -94.57 115.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.35 -154.12 16.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.92 -46.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -109.95 78.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.84 118.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 174.44 82.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -63.8 163.2 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.482 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 7.0 tmm? -59.02 -15.91 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 25' ' ' LEU . . . -70.0 -53.04 19.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -13.18 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -88.97 39.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 24' ' ' ARG . 8.3 t80 -138.34 -46.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.1 t -61.4 -29.52 69.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 31.3 p -64.06 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.471 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 3.4 m120 -119.47 123.89 45.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -43.87 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -37.17 -53.16 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -74.98 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -49.53 -25.19 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 92' ' ' SER . 1.1 mp -78.34 -59.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.473 ' O ' ' CG1' ' A' ' 101' ' ' ILE . 1.5 mp -59.52 -26.29 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.805 ' CE2' ' CE1' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -64.43 -60.6 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 2.1 t -40.25 -50.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.473 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 10.8 mm -61.84 -64.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.809 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -37.02 -59.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.594 ' O ' ' C ' ' A' ' 104' ' ' LEU . 15.7 m-85 -59.04 -62.25 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 103' ' ' PHE . 1.8 mt -23.61 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.602 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 35.3 m-85 -62.26 -65.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 31' ' ' THR . 40.9 m170 -100.75 49.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.54 ' N ' ' O ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -172.8 -61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.603 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . -84.05 -106.43 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 69.1 m-85 -165.52 67.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.602 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 1.6 mt -100.02 138.5 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.76 121.4 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 118' ' ' ILE . 19.6 t0 -170.45 58.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -145.55 96.3 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -157.23 33.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -171.96 149.33 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -54.14 129.14 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.471 ' HG2' ' CE ' ' A' ' 121' ' ' LYS . 2.0 mt-30 54.24 100.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -122.49 -172.2 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.526 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 7.1 mm -45.19 -64.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 119' ' ' ILE . 1.6 ttpt -35.44 -40.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.471 ' CE ' ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -56.9 -59.13 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -53.53 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.809 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 6.6 m-30 -45.62 -25.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.93 -35.86 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -67.8 -19.52 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.352 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.482 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.2 mt -97.09 -54.28 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.04 -25.91 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 131' ' ' ALA . 15.0 t0 -90.73 -59.33 2.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -50.08 -38.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 85' ' ' ALA . 1.2 tt -66.05 -27.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -83.28 5.62 22.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.73 -25.09 21.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.28 -11.71 19.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 8.2 mt -57.11 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.55 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.4 65.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 162.43 13.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 172.77 41.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.2 -166.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -123.79 -76.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm -60.63 -67.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -47.69 -44.04 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.24 -47.12 87.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.39 -38.04 40.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 53' ' ' ILE . 12.1 mt -63.47 -47.03 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.488 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.71 -60.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.49 -58.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' GLN . 10.5 m-85 -51.11 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 51.8 t80 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -41.11 -39.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.2 mm-40 -85.31 43.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -153.69 -70.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.496 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 11.9 t -144.32 92.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.05 -20.28 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 p -43.59 161.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -100.05 -69.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -42.03 -34.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -49.24 -36.3 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mtt85 -56.77 -47.26 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 5.8 mt -64.7 -28.61 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -15.05 40.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 1.4 t80 -83.23 -58.89 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.523 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -39.84 -29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 27' ' ' PHE . 34.7 t -85.59 -70.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -42.05 -43.76 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.6 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 21.0 m -48.38 -38.84 20.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -95.75 24.82 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' SER . 20.2 mm-40 -144.65 56.98 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -170.09 90.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -24.14 66.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.533 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 1.1 t -89.04 -23.04 22.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 36' ' ' THR . 2.8 m-85 76.51 -47.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -16.46 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -25.72 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.33 153.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.606 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 4.7 t70 -59.57 -165.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.606 ' CG1' ' O ' ' A' ' 41' ' ' ASP . 5.3 p 55.28 141.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 149.41 36.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' LYS . 38.0 mt -82.21 -41.23 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HA ' ' CE ' ' A' ' 48' ' ' LYS . 1.5 mt-10 -35.04 -56.63 0.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.97 -51.54 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 20.5 mm -49.49 -37.22 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' CE ' ' HA ' ' A' ' 45' ' ' GLU . 52.7 mtmt -60.57 -16.0 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.3 t-20 -87.79 -40.12 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 47' ' ' ILE . 3.3 pt -80.45 -0.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.438 HG22 ' CE1' ' A' ' 109' ' ' PHE . 19.7 mt -89.12 -23.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -12.46 60.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' CD1' HD21 ' A' ' 10' ' ' LEU . 1.2 tp -58.07 -35.29 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.458 HG22 ' CD1' ' A' ' 63' ' ' ILE . 7.1 p -100.51 20.57 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -67.7 -47.74 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -76.55 154.82 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 1.1 pm0 -75.13 -27.24 59.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -72.4 -15.88 61.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.08 -58.05 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 14.3 pt20 -47.73 -42.56 25.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' THR . 19.0 mt -59.7 -75.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -30.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.491 ' CG2' HD13 ' A' ' 110' ' ' LEU . 41.5 mt -72.19 -49.42 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -44.12 -62.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -43.76 88.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.24 -47.64 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -56.14 -43.48 78.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.8 t -68.87 -39.26 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -41.57 -31.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -99.62 -48.86 4.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -46.72 -49.32 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -56.54 -33.73 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -80.17 -32.93 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -59.31 -16.92 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 37.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.17 31.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.91 81.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.576 ' O ' ' CB ' ' A' ' 79' ' ' ALA . . . -55.85 -168.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' CB ' ' O ' ' A' ' 78' ' ' GLY . . . 89.87 127.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.0 p -41.52 100.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.39 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.74 152.8 17.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -112.36 54.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 133' ' ' TYR . 13.2 m-85 -87.23 81.32 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.554 ' HG3' ' CE1' ' A' ' 88' ' ' PHE . 2.3 ttt -38.37 -33.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' CB ' HD11 ' A' ' 130' ' ' ILE . . . -44.18 -41.78 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -59.41 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -75.0 54.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CE1' ' HG3' ' A' ' 84' ' ' MET . 1.5 m-85 -155.06 -45.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 29.8 p -62.58 -62.41 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.437 ' N ' ' OG1' ' A' ' 90' ' ' THR . 2.5 m-80 -94.23 99.36 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 96' ' ' ILE . 39.2 p -85.74 -41.03 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -44.16 -55.83 8.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . . . -54.25 -20.37 6.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 4.4 mt -78.93 -63.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.2 mp -46.08 -42.03 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CE1' ' OH ' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -64.13 -42.67 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.0 t -49.19 -38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.84 -44.73 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.578 HG22 ' CE2' ' A' ' 123' ' ' TYR . 5.7 mm -58.84 -55.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -48.72 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.78 -40.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.73 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.571 ' CD2' HD12 ' A' ' 110' ' ' LEU . 12.1 m-85 -50.24 -59.71 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 5.9 m-70 -40.11 -64.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.433 ' CD2' ' CE1' ' A' ' 103' ' ' PHE . 5.0 m-30 -50.97 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.69 59.18 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.438 ' CE1' HG22 ' A' ' 51' ' ' ILE . 3.7 m-85 -127.06 -52.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 105' ' ' TYR . 1.4 mt -62.76 144.38 56.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -119.66 163.57 17.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -170.38 34.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 47.94 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.05 160.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.19 -41.95 2.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.17 179.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' HB2' ' CG ' ' A' ' 121' ' ' LYS . 1.8 pt20 -39.82 136.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.8 OUTLIER -144.54 -170.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 23.8 mm -40.24 -52.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -45.79 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.7 tmtt? -53.56 -54.17 41.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -64.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 3.9 m-85 -39.94 -39.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -39.21 47.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -49.55 -29.65 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.455 ' C ' ' N ' ' A' ' 128' ' ' ASP . 13.8 mt -89.91 -64.13 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.6 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 25.8 t70 -86.17 -51.32 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 7.9 m-20 -55.87 -47.55 77.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.492 HD11 ' CB ' ' A' ' 85' ' ' ALA . 5.4 tt -58.39 -40.04 76.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.53 -7.59 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 5.6 t70 -79.31 -19.41 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -104.47 -41.06 5.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 65.1 mt -48.28 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 t30 65.07 90.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -172.07 73.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.986 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.532 0.206 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.74 171.88 3.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 72.66 119.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 58.95 166.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -144.14 -65.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' GLN . 36.0 mm -56.35 -77.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HD2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.14 -41.99 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -43.17 98.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -59.0 -33.32 70.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.08 -44.81 83.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.3 mp -57.44 -69.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -39.25 -58.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 6.3 m-30 -45.82 -89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -41.48 -44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 16.8 t-20 -48.62 -41.1 29.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 mm-40 -85.17 46.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -152.52 -70.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 25.3 p -63.65 -141.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.428 ' CA ' ' HB2' ' A' ' 23' ' ' GLU . 3.5 m -164.65 71.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.8 p 47.99 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 89' ' ' SER . 6.9 m80 -42.37 -51.92 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' HIS . 19.6 mt-30 -34.17 -50.69 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -46.53 -55.8 6.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 12.0 mt -60.77 -25.05 66.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 m-20 -88.91 -10.39 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.618 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 40.8 t80 -89.33 -57.72 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -40.66 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ARG . 42.5 t -85.64 -70.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.485 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -42.67 -57.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.618 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 87.7 m -49.47 -32.1 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 tpt180 -83.0 -24.15 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 3.7 pt-20 -116.11 42.89 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -155.17 84.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.63 -34.85 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -88.9 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 36' ' ' THR . 11.3 m-85 -120.26 -39.53 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.419 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.79 -11.56 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -78.68 -34.11 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 85.8 t -57.85 148.54 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -54.3 48.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 40' ' ' VAL . 8.3 p -46.37 138.44 6.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.03 143.01 28.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 8.8 mt -81.72 -10.78 59.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.0 mm-40 -62.44 -60.2 10.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -41.16 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 16.7 mm -52.72 -40.21 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -63.11 -12.79 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.05 -32.58 16.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 13' ' ' PHE . 5.1 pt -88.48 -12.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mt -73.38 -24.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 42.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -113.4 -37.7 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' CD1' ' A' ' 63' ' ' ILE . 7.3 p -92.44 21.05 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -66.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -52.04 139.05 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -64.3 -27.36 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -70.25 -34.53 72.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -67.98 -49.3 62.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' THR . 12.2 mt-30 -55.19 -41.7 72.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -66.68 -54.77 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.01 -27.27 66.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 54' ' ' THR . 17.0 mt -73.04 -47.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -57.91 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.09 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 mt -45.37 -44.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 71' ' ' ILE . . . -59.34 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 t -63.64 -30.24 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.23 -35.26 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.83 -27.33 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.588 ' CG1' ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -76.45 -49.66 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -46.04 -31.33 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.5 m -77.13 -37.21 54.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ILE . 6.4 mt -59.16 -16.57 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -83.0 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.75 -73.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 t 40.09 73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.34 -99.67 2.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.76 -66.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.3 112.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.32 116.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -172.81 77.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLN . 19.4 m-85 34.01 91.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' PHE . 16.3 mmt -55.79 -36.0 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.481 ' CB ' HD12 ' A' ' 130' ' ' ILE . . . -49.12 -41.52 36.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -24.65 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' MET . 18.9 t80 -89.95 52.03 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CE1' ' NH2' ' A' ' 24' ' ' ARG . 91.4 m-85 -157.88 -40.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 30.8 t -46.7 -54.27 9.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.2 p -72.63 -53.97 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.51 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.2 t-20 -83.34 89.6 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.428 ' O ' ' CD1' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -88.84 -48.24 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.686 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.3 mt-10 -38.98 -51.48 4.02 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.686 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.0 -48.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.79 -43.54 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 92' ' ' SER . 1.5 mp -59.76 -56.48 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.415 HD11 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -60.41 -64.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.0 t80 -41.46 -42.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.32 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 50' ' ' ILE . 2.2 t -48.18 -41.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.518 HG23 ' CE2' ' A' ' 105' ' ' TYR . 17.8 mm -56.63 -52.52 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 88.9 t80 -61.36 -58.49 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -38.98 -51.04 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.502 ' HG ' ' CD2' ' A' ' 103' ' ' PHE . 7.5 mt -61.89 -69.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 3.8 m-85 -39.48 -57.63 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.604 ' CE1' ' CZ ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -50.86 -59.72 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 40' ' ' VAL . 3.2 m-85 -55.55 -61.77 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.49 66.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -134.66 -53.71 0.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 0.6 OUTLIER -59.74 132.05 52.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -108.79 124.5 50.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -137.13 110.77 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 89.89 4.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.53 -58.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -137.38 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -177.66 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.515 ' O ' ' C ' ' A' ' 118' ' ' ILE . 0.9 OUTLIER -120.16 -56.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.515 ' C ' ' O ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER 30.56 -98.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 6.3 mm -58.34 -64.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -40.16 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 117' ' ' GLN . 35.8 tptt -72.68 -65.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -50.93 -64.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.649 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 4.9 m-85 -38.68 -49.46 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -69.86 -36.0 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.84 -27.52 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 128' ' ' ASP . 7.8 mt -91.88 -60.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -38.18 -31.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.5 t0 -87.74 -63.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 23.2 m-20 -44.9 -48.28 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 133' ' ' TYR . 1.3 tt -54.79 -37.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -71.95 -5.35 34.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 3.5 t70 -82.82 -28.37 30.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -92.85 -35.42 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.3 mt -53.31 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -178.66 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.48 28.85 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.964 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.456 0.17 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -79.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.46 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 3.2 tt0 173.96 123.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 2.7 m-20 159.27 173.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -102.46 -62.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 45.6 mm -67.36 -75.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' ILE . 1.9 tptt -38.58 -48.88 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 24.6 tt0 -52.7 -55.98 18.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.57 -48.63 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.859 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 25.3 mt -46.55 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.2 mp -27.27 -57.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -33.09 -56.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.034 ' O ' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -56.53 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 2.6 t80 19.11 -63.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 1.034 ' N ' ' O ' ' A' ' 13' ' ' PHE . 10.4 t30 -46.96 -37.46 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 12' ' ' SER . 5.7 mm-40 -74.16 -30.31 62.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -66.04 -71.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.29 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.313 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -87.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 p -55.67 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -89.27 -49.07 6.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -49.35 -23.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.81 -40.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 88' ' ' PHE . 1.3 mpp_? -57.66 -62.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -54.34 -20.75 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -30.11 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CE1' ' CG1' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -69.31 -68.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.494 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 3.4 pt -35.19 -35.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' PHE . 15.5 t -84.99 -60.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -44.94 -45.17 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.503 HG22 ' CG ' ' A' ' 106' ' ' HIS . 23.4 m -51.77 -34.27 38.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -93.44 10.39 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -143.07 56.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m -170.28 90.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -24.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -115.62 -167.37 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.792 ' CD1' ' CE2' ' A' ' 107' ' ' PHE . 9.1 m-85 -113.77 -20.46 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -2.53 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -91.44 -40.34 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.54 ' CG1' ' CE1' ' A' ' 27' ' ' PHE . 58.0 t -51.29 146.32 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 40' ' ' VAL . 12.5 t0 -71.86 70.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.3 p -175.12 141.53 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.5 Cg_endo -74.95 150.67 38.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 18.3 mt -81.87 -41.15 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -35.0 -57.59 0.79 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.02 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' ILE . 15.3 mm -44.65 -55.66 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 7.4 mttp -46.58 -26.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.9 t-20 -75.4 -40.5 57.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -76.64 -2.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mt -93.72 -25.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.4 29.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.58 -34.14 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 p -97.5 22.81 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 14.6 pttt -62.71 -55.5 26.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 78.2 m-20 -66.59 158.84 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -83.89 -26.35 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -72.31 -13.4 61.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -53.02 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -52.82 -36.96 59.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -64.64 -65.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 12.8 mt-10 -56.82 -25.41 55.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 110' ' ' LEU . 9.3 mt -71.54 -48.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -59.4 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.11 92.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 9.2 mt -57.15 -39.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 70' ' ' ASN . 54.9 t -62.75 -32.53 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -50.68 -22.51 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.2 m-80 -97.36 -39.75 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -63.14 -51.93 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.77 -40.81 66.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -74.43 -33.07 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 126' ' ' ILE . 4.0 mt -61.97 -14.21 32.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -89.84 37.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 t -169.23 32.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.46 123.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.65 17.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.3 -63.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -102.39 67.05 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.43 -118.23 5.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.77 87.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 53.8 m-85 -61.83 138.54 58.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.2 ttt -51.99 -20.47 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' N ' HD13 ' A' ' 130' ' ' ILE . . . -64.68 -44.5 90.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -43.49 95.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 91' ' ' ASN . 4.5 t80 -71.07 -16.82 62.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -61.99 -29.62 70.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.4 t -73.93 -56.41 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 p -67.25 -34.54 77.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 3.0 m120 -125.08 70.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ILE . 79.1 p -82.93 -31.35 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -46.54 -57.91 7.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.1 Cg_endo -75.03 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.593 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . . . -58.7 -18.43 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' SER . 6.3 mt -81.67 -66.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.5 mp -46.17 -46.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 3.3 t80 -58.7 -49.82 76.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . 11.4 t -41.62 -43.24 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.3 t -73.84 -53.2 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.441 HG23 ' CE2' ' A' ' 123' ' ' TYR . 8.8 mm -45.37 -38.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 28' ' ' ILE . 42.1 t80 -68.58 -70.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.61 ' CE2' ' CE2' ' A' ' 107' ' ' PHE . 2.9 t80 -35.96 -44.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLY . 51.4 mt -58.56 -67.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 7.8 m-85 -44.96 -58.63 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.503 ' CG ' HG22 ' A' ' 31' ' ' THR . 37.6 t-80 -45.78 -51.03 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.659 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 4.3 m-85 -69.28 -22.67 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 87.3 68.46 1.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -124.29 -53.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 105' ' ' TYR . 1.7 mt -61.31 153.48 26.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -85.19 110.45 19.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -124.24 116.13 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.02 139.35 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -72.53 117.65 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.83 -165.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -59.02 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' HB2' ' CD ' ' A' ' 121' ' ' LYS . 2.6 pt20 -47.4 137.02 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -137.57 -168.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.8 mm -42.31 -66.65 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -40.49 -50.12 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -53.03 -52.79 57.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.33 -64.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.781 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 4.1 m-85 -44.69 -30.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -79.71 -36.5 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -60.38 -24.84 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.431 ' C ' ' N ' ' A' ' 128' ' ' ASP . 5.2 mt -95.38 -58.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 102' ' ' TYR . . . -43.68 -27.69 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 33.9 t70 -89.72 -58.3 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 31.0 t30 -49.33 -45.76 45.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 85' ' ' ALA . 4.5 tt -56.16 -25.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -82.54 6.01 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 19.2 t0 -74.81 -35.74 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 1.1 p90 -103.83 7.82 37.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -146.11 -55.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -171.15 43.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' LYS . 44.4 mm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 11' ' ' ILE . 5.3 tptt -37.19 -55.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.23 -50.75 70.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.7 mt-30 -46.76 -39.72 12.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.411 HD12 HG13 ' A' ' 97' ' ' ILE . 9.5 mt -67.93 -58.3 4.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.819 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -47.59 -63.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -37.24 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 22.7 m-30 -40.67 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -44.22 -52.72 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.71 -30.61 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -90.44 31.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -135.54 -72.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.48 -164.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.95 -89.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -79.73 -168.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' N ' ' A' ' 23' ' ' GLU . 72.8 m-70 -90.05 -58.07 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.579 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' GLU . 20.5 mt-30 -41.51 -27.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER -37.1 -51.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' PHE . 72.0 mtt85 -45.88 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.4 mt -50.54 -22.64 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.5 OUTLIER -83.4 -34.65 25.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ILE . 9.8 m-30 -65.17 -61.16 2.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.0 pt -32.72 -40.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' SER . 8.7 t -90.96 -71.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.491 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 20.8 t -35.1 -48.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.518 HG23 ' CE1' ' A' ' 107' ' ' PHE . 23.6 m -53.78 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.11 46.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -171.26 38.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -116.43 -107.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -171.1 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 38' ' ' SER . 9.0 t -104.03 -18.98 14.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 21.2 m-85 62.75 11.83 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 36' ' ' THR . 1.3 t -122.78 -1.55 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -104.73 -0.03 27.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 41' ' ' ASP . 49.3 t -43.54 165.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 40' ' ' VAL . 11.6 t0 -69.54 64.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.8 p -168.92 140.45 2.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.06 -21.75 36.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -51.85 -57.98 12.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.06 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.709 HG22 ' CD1' ' A' ' 51' ' ' ILE . 11.8 mm -50.51 -34.17 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -27.87 66.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' PRO . 13.2 m120 -77.22 -37.77 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 100' ' ' VAL . 1.2 pt -83.59 0.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.709 ' CD1' HG22 ' A' ' 47' ' ' ILE . 13.0 mt -101.72 -33.83 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 3.7 mt-10 -88.05 42.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG23 HG22 ' A' ' 54' ' ' THR . 1.1 tp -115.51 -35.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.562 ' CG2' HD13 ' A' ' 63' ' ' ILE . 3.0 p -96.53 23.86 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -92.92 30.89 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.7 m-20 -138.37 146.65 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.4 mt-10 -52.13 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' GLU . 36.5 m-20 -37.08 -37.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 13.0 mm-40 -59.53 -62.25 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -46.39 -45.05 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 3.2 mt -63.89 -71.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.38 -30.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.725 HG23 ' CD1' ' A' ' 101' ' ' ILE . 62.1 mt -73.7 -49.38 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -43.87 -63.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.372 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -42.2 79.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -46.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.8 -44.42 96.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 64' ' ' THR . 46.7 t -62.94 -40.87 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -43.55 -27.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 51.4 t30 -91.37 -45.93 8.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -58.05 -50.96 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.72 -25.67 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -90.12 -32.4 16.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.66 -9.3 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 41.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.065 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -169.56 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 84' ' ' MET . 7.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.606 ' CZ ' ' CD1' ' A' ' 133' ' ' TYR . 15.2 m-30 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.452 0.167 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 77' ' ' VAL . 31.7 mmt -76.82 -24.27 52.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.06 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -55.64 -45.71 77.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -48.05 -25.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 26.2 t80 -90.09 48.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 97.7 m-85 -163.5 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -50.97 -33.37 24.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.9 p -68.52 -68.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 73.0 m-80 -97.64 110.57 23.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.86 -43.17 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 1.8 mt-10 -39.28 -55.11 3.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.457 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.96 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -51.83 -23.53 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.819 HG21 HG13 ' A' ' 11' ' ' ILE . 4.1 mt -77.5 -69.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -40.55 -42.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' ASN . 18.6 m-85 -64.0 -54.76 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.24 -42.85 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.86 HG22 HD12 ' A' ' 50' ' ' ILE . 2.3 t -57.33 -47.19 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.725 ' CD1' HG23 ' A' ' 63' ' ' ILE . 13.4 mm -54.31 -61.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 45.3 m-85 -43.64 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -35.52 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 51' ' ' ILE . 68.7 mt -42.49 -61.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 9.7 m-85 -53.88 -39.96 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.507 ' HB3' HG22 ' A' ' 31' ' ' THR . 72.3 m-70 -60.34 -26.24 66.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 17.9 m-30 -107.65 12.14 27.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.75 64.91 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.84 -54.67 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 63' ' ' ILE . 1.3 mt -58.83 154.16 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.76 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.76 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.3 mm -62.24 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 121' ' ' LYS . 2.7 pttt -41.23 -29.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 119' ' ' ILE . 20.9 tptt -71.53 -57.32 4.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 125' ' ' THR . . . -62.36 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.4 m-85 -40.7 -40.03 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.24 67.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -57.14 -27.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 130' ' ' ILE . 4.1 mt -94.6 -58.08 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.435 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.02 -27.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.2 t70 -90.17 -62.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -47.38 -43.42 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.06 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -59.77 -32.96 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -77.31 -0.34 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -86.38 -21.25 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.606 ' CD1' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -102.34 -23.57 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 57.6 mt -56.38 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.649 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.89 -34.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.48 -52.11 59.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.722 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.79 -23.16 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.722 HD23 ' HG3' ' A' ' 9' ' ' GLN . 5.2 mt -75.67 -49.02 19.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.649 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.1 mp -53.24 -64.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 11' ' ' ILE . 36.8 m -42.46 -56.8 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.4 m-30 -48.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CD2' HG23 ' A' ' 100' ' ' VAL . 28.1 t80 -43.8 -41.08 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 24.1 t30 -53.44 -36.03 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' PHE . 3.6 mt-30 -77.18 0.65 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' PHE . . . -98.95 -73.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -59.83 -158.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.04 -84.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -96.65 -166.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.3 m-70 -79.61 -56.8 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -39.3 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 4.1 mm-40 -45.12 -43.14 9.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 19.2 mtt85 -53.08 -49.54 66.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.7 mt -71.44 -17.6 62.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -90.62 -9.19 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 8.8 m-30 -90.22 -57.69 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.04 -29.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 27' ' ' PHE . 21.1 p -90.24 -45.46 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' PHE . 31.9 t -56.64 -42.66 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.485 HG22 ' CD2' ' A' ' 106' ' ' HIS . 8.3 m -62.08 -27.23 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' A' ' 128' ' ' ASP . 0.0 OUTLIER -118.41 44.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -170.89 31.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 p -128.81 -107.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -171.03 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.714 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.4 t -122.78 -143.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.714 ' N ' HG23 ' A' ' 36' ' ' THR . 0.7 OUTLIER -108.33 -37.67 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.777 ' HA ' HD11 ' A' ' 44' ' ' LEU . 28.1 t -72.08 -4.82 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -89.31 -36.33 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 42' ' ' VAL . 77.2 t -52.47 156.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.06 -63.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 40' ' ' VAL . 9.3 p -39.27 135.47 1.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.0 Cg_endo -75.06 147.59 33.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 38' ' ' SER . 47.4 mt -82.06 -23.94 35.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.5 mt-10 -49.3 -57.63 11.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 51' ' ' ILE . 26.4 mm -52.23 -36.09 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.8 mttp -64.61 -12.4 45.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -90.25 -35.8 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 100' ' ' VAL . 7.2 pt -82.77 -34.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.696 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 50.0 mt -53.85 -30.54 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.24 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -111.14 -29.51 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.637 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -102.87 23.94 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -69.19 -59.4 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.91 144.92 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.842 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.6 pm0 -68.7 -29.18 67.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 2.1 m-20 -72.66 -27.41 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.0 -34.97 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 57' ' ' GLU . 15.8 mt -68.51 -65.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 mt-10 -51.75 -31.43 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.865 HG21 HD21 ' A' ' 110' ' ' LEU . 8.8 mt -65.52 -56.21 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -41.08 -54.57 2.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 64' ' ' THR . 4.3 mttt -63.82 -48.17 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.1 mt -49.32 -47.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -54.53 -44.99 73.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 119' ' ' ILE . 16.0 t -66.68 -49.75 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 38.4 t30 -39.16 -45.19 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' THR . 41.8 t30 -80.81 -57.42 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -42.25 -57.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.0 -38.55 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ASN . 20.0 m -71.29 -33.78 70.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -60.45 -15.32 25.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.9 48.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.54 -61.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.54 HG13 ' CG ' ' A' ' 87' ' ' PHE . 3.4 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ALA . 64.4 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.481 0.181 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 9.3 mmt 67.67 -63.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' A' ' 130' ' ' ILE . . . -45.04 -46.72 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -42.88 -49.9 5.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CG ' HG13 ' A' ' 77' ' ' VAL . 2.8 t80 -36.54 -38.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 8.0 t80 -40.75 -53.87 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -40.54 -38.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 p -94.43 -50.94 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.418 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 2.1 m-20 -114.19 76.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 86.6 p -89.5 -47.41 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.6 mt-10 -40.6 -50.72 6.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.04 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.26 -27.54 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 92' ' ' SER . 2.3 mt -73.72 -56.92 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 96' ' ' ILE . 1.1 mp -52.95 -38.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.77 ' CD1' ' CD1' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -57.73 -57.16 13.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 103' ' ' PHE . 6.8 t -47.01 -47.39 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 108.341 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -66.22 -43.33 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -58.57 -71.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.624 ' HH ' ' CD2' ' A' ' 106' ' ' HIS . 14.0 t80 -47.27 -51.39 19.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.795 ' CE2' ' CZ ' ' A' ' 107' ' ' PHE . 9.7 t80 -45.79 -41.35 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.35 -48.18 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.651 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.4 m-85 -60.1 -37.78 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.624 ' CD2' ' HH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -70.98 -39.21 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.795 ' CZ ' ' CE2' ' A' ' 103' ' ' PHE . 3.9 m-85 -77.11 -22.28 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 109' ' ' PHE . . . 89.66 90.8 1.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.696 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 28.2 m-85 -159.55 -63.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -51.14 146.71 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.774 HD11 HG22 ' A' ' 68' ' ' VAL . 4.6 mm -63.83 -67.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -39.54 -55.35 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -45.97 -45.87 15.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.799 ' O ' HG22 ' A' ' 125' ' ' THR . . . -61.97 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 98' ' ' PHE . 9.6 m-85 -45.85 -32.71 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.5 -33.97 62.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.8 t -64.63 -25.74 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.782 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.0 mt -95.89 -54.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -50.64 -25.05 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.6 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 48.1 t0 -90.47 -60.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 132' ' ' ASP . 15.8 t30 -50.04 -48.13 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.02 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 8.4 tt -55.28 -19.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.39 10.97 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 129' ' ' ASN . 59.4 t0 -87.83 -44.58 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.3 OUTLIER -87.1 -30.91 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 131' ' ' ALA . 25.6 mt -45.78 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -54.64 -50.18 68.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.35 -42.35 91.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.0 mt-30 -51.7 -38.92 57.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 10' ' ' LEU . 1.7 mt -64.71 -56.8 11.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG21 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -40.03 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.637 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -36.76 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 12.7 m-85 -39.32 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD2' HG23 ' A' ' 96' ' ' ILE . 49.9 t80 -43.1 -43.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -38.25 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.5 mt-30 -74.3 -1.87 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -111.47 -88.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' ' CE2' ' A' ' 27' ' ' PHE . 6.6 t -112.83 92.16 3.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -92.96 -56.41 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' SER . 3.0 p -37.17 155.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' ARG . 55.2 m80 -93.1 -58.67 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -40.2 -51.21 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.02 -41.48 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -52.26 -45.64 65.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HB1' ' A' ' 85' ' ' ALA . 8.1 mt -64.39 -29.96 71.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -15.9 44.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.458 ' C ' ' N ' ' A' ' 29' ' ' CYS . 3.3 m-85 -82.89 -60.68 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.75 HD12 HG21 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' N ' ' C ' ' A' ' 27' ' ' PHE . 7.4 t -90.61 -57.95 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -50.39 -57.77 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 29.0 m -51.34 -19.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 31.85 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.02 32.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -103.9 -100.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -170.31 -54.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 13.9 t -115.88 -20.39 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.955 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-85 77.28 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.905 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.89 -3.63 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.951 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -132.76 44.77 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 37' ' ' PHE . 58.9 t -80.25 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.613 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.8 t70 -114.64 -35.7 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 7.9 p -67.49 141.27 95.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 142.95 28.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.905 HD21 ' O ' ' A' ' 38' ' ' SER . 61.9 mt -81.49 -25.51 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mt-10 -48.42 -58.69 7.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.544 HG22 ' CD1' ' A' ' 51' ' ' ILE . 18.3 mm -51.85 -37.18 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.85 -16.63 51.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -35.21 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 100' ' ' VAL . 3.1 pt -89.68 -9.25 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CD1' HG22 ' A' ' 47' ' ' ILE . 7.2 mt -78.03 -30.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.21 46.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.04 -38.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -91.82 22.86 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -92.02 26.6 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -144.81 119.46 9.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.897 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -44.56 -33.74 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -70.09 -43.3 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mm-40 -62.08 -63.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 15.2 pt20 -42.5 -42.55 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.2 mt -59.21 -65.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -52.04 -39.05 59.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.824 HG23 HD12 ' A' ' 101' ' ' ILE . 17.6 mt -56.73 -48.36 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -51.83 -59.69 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.82 -35.41 76.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.5 -47.96 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.17 -45.01 84.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.924 HG22 HD11 ' A' ' 119' ' ' ILE . 25.1 t -59.66 -48.54 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -42.64 -31.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.74 -45.95 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.688 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -57.47 -50.25 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -49.41 -27.04 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 75' ' ' SER . 20.8 m -86.79 -45.94 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.891 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -47.98 -24.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' THR . 28.1 p -71.95 59.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -169.13 -40.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 74' ' ' LEU . 49.5 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CD2' ' CD2' ' A' ' 133' ' ' TYR . 39.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.62 ' HE2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.32 -31.91 55.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.001 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.66 -47.18 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.8 m -69.09 -25.91 64.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.44 38.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.886 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.2 m-85 -136.78 -51.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -47.96 -30.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.3 p -69.52 -69.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 1.8 p30 -98.75 97.08 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -83.27 -32.84 26.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 2.6 mt-10 -44.64 -56.78 7.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.01 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -52.22 -25.34 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.763 HG21 HG13 ' A' ' 11' ' ' ILE . 6.2 mt -75.9 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -57.63 -52.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 2.9 t80 -53.3 -44.64 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.454 ' HG ' ' HD2' ' A' ' 103' ' ' PHE . 45.6 t -56.38 -50.7 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -51.31 -46.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.824 HD12 HG23 ' A' ' 63' ' ' ILE . 26.0 mm -52.16 -60.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -56.25 -61.58 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.568 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.11 -36.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.53 -68.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.2 m-85 -38.2 -38.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 2.7 m80 -70.33 -51.95 26.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.65 -37.83 87.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.33 81.44 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 26.1 m-85 -148.55 -61.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mt -58.13 146.93 31.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.924 HD11 HG22 ' A' ' 68' ' ' VAL . 6.7 mm -63.14 -65.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -44.25 -30.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -51.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.67 ' O ' HG22 ' A' ' 125' ' ' THR . . . -72.03 -63.12 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.688 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.6 m-85 -39.89 -38.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.3 tp10 -76.9 -39.29 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.03 -25.2 7.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.891 HD12 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -93.42 -63.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.09 -28.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 9.7 t70 -90.41 -60.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 125' ' ' THR . 14.7 t30 -47.72 -45.16 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.001 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt -58.11 -30.94 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.96 2.99 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 25.1 t0 -86.13 -30.99 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.73 -3.71 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 134' ' ' LEU . 5.2 mt -57.72 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 15.6 mm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.13 -46.2 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.25 -50.84 68.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.4 mt-30 -46.5 -39.89 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -51.39 62.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -53.3 -60.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.25 -49.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 15.0 m-85 -67.36 -80.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -39.17 -33.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 15.4 t-20 -59.66 -49.46 77.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' PHE . 12.0 pt20 -84.13 45.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -143.94 -73.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.557 ' CB ' HG23 ' A' ' 42' ' ' VAL . 48.6 t -163.63 97.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -111.24 -65.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.455 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . 46.6 p 37.38 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.03 -73.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -33.27 57.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 20' ' ' THR . 6.3 tp10 -52.3 -25.26 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -72.98 -40.01 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 134' ' ' LEU . 11.2 mt -57.81 -35.21 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -10.95 59.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 1.1 t80 -85.96 -58.04 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -33.28 -36.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' PHE . 2.0 t -82.84 -56.46 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 108.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -44.12 -57.14 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 39.8 m -42.16 -50.1 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -90.27 35.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.0 tp10 -170.51 72.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -150.02 -102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.58 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' H ' ' A' ' 38' ' ' SER . 8.9 t -113.04 -19.98 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 1.5 m-85 63.94 9.88 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' THR . 0.5 OUTLIER -118.31 -3.51 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -117.96 15.93 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.8 t -57.09 -107.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.661 ' N ' HG12 ' A' ' 40' ' ' VAL . 6.2 t0 -121.74 -62.41 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 18' ' ' CYS . 4.3 p -42.31 136.91 2.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.05 144.69 30.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 73.6 mt -81.4 -20.64 40.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -52.67 -58.99 9.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.04 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.806 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 51' ' ' ILE . 33.8 mm -52.44 -36.44 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 12.7 mtpp -63.41 -15.89 58.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -35.26 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.78 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -85.61 -9.63 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 8.6 mt -80.03 -23.83 11.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.62 39.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -107.71 -30.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.6 p -100.6 20.13 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -55.18 -51.51 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.1 152.48 39.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.33 -26.01 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 m-20 -69.48 -40.85 76.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -45.46 93.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.95 -59.58 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.13 -29.26 65.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.826 HG21 HD21 ' A' ' 110' ' ' LEU . 6.4 mt -66.83 -47.02 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -51.53 -57.4 9.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -62.53 -40.31 96.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.7 mt -56.69 -43.47 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 123' ' ' TYR . . . -57.95 -44.22 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 72' ' ' LYS . 39.0 t -63.02 -40.03 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.7 t-20 -38.5 -31.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' VAL . 3.1 t-20 -93.69 -62.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -40.16 -41.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.585 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -56.01 -51.6 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ASN . 22.8 m -73.78 -32.93 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.564 HD23 ' CG2' ' A' ' 77' ' ' VAL . 1.1 mt -59.75 -15.64 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -84.1 47.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -169.98 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.564 ' CG2' HD23 ' A' ' 74' ' ' LEU . 16.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.468 0.175 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.54 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 11.7 tmm? -54.61 -17.34 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.961 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -66.96 -45.3 78.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -52.51 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.89 -22.9 50.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 1.01 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 17.1 t80 -86.51 -16.04 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -49.83 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.5 p -69.24 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.0 m120 -79.16 98.71 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.884 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -88.1 -37.48 16.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 2.0 mt-10 -46.75 -50.55 42.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.01 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -50.62 -34.23 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 92' ' ' SER . 1.8 mt -66.61 -59.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -51.93 -50.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.44 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.46 -56.7 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.78 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -47.37 -41.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 HG23 ' A' ' 63' ' ' ILE . 5.5 mm -70.39 -45.78 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -59.84 -54.22 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.803 ' CE2' ' CE1' ' A' ' 27' ' ' PHE . 1.7 m-85 -49.76 -46.79 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' TYR . 45.6 mt -56.06 -74.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.62 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 10.3 m-85 -36.86 -64.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.591 ' CE1' ' HG2' ' A' ' 124' ' ' GLU . 11.2 m-70 -44.44 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 4.1 m-30 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . 126.78 97.68 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 46.1 m-85 -162.12 -63.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.826 HD21 HG21 ' A' ' 63' ' ' ILE . 2.3 mt -53.16 157.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.658 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.658 ' H ' HG23 ' A' ' 118' ' ' ILE . 5.3 mm -62.53 -58.92 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -43.06 -31.32 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -58.02 6.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.83 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.603 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.4 m-85 -37.52 -34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.591 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 89.7 mt-10 -85.58 -42.71 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.27 -21.73 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.709 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.6 mt -95.57 -62.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.493 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -39.76 -29.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.8 t0 -90.21 -63.84 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 36.6 m-20 -43.81 -43.56 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.0 tt -57.4 -41.63 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -65.69 -10.57 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 23.0 t0 -75.1 -44.76 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.536 ' N ' ' CD1' ' A' ' 133' ' ' TYR . 1.3 m-30 -74.72 -46.96 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 25' ' ' LEU . 27.1 mt -43.6 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.5 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.036 ' HD3' HD11 ' A' ' 97' ' ' ILE . 2.7 mmmt -35.98 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.5 tp10 -57.99 -55.87 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.512 ' HG3' HD23 ' A' ' 10' ' ' LEU . 3.1 pt20 -55.6 -30.62 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.93 HD12 ' HD2' ' A' ' 7' ' ' LYS . 11.1 mt -69.43 -41.1 76.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -58.82 -58.55 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.3 p -41.24 -52.42 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 10' ' ' LEU . 19.7 m-30 -50.26 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.98 -45.74 71.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.1 m-20 -54.22 -31.19 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.49 2.57 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -110.59 -78.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.66 -172.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -79.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 p -41.31 163.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.22 28.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.628 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 1.3 mt-30 -70.33 -4.84 24.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' PHE . 6.1 pt-20 -37.11 -35.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -69.26 -57.26 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.5 mt -60.85 -24.53 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.85 -21.95 21.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' GLU . 33.3 t80 -76.37 -59.54 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.22 -29.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -89.31 -58.37 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 108.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -39.03 -41.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.696 HG22 ' ND1' ' A' ' 106' ' ' HIS . 45.8 m -78.4 53.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER 157.95 -23.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -98.15 31.66 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 t -134.66 -104.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.87 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 38' ' ' SER . 14.8 t -126.27 -161.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -96.64 -28.96 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.547 ' H ' HG23 ' A' ' 36' ' ' THR . 32.6 t -80.01 3.41 20.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -103.48 -29.7 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 30' ' ' SER . 61.4 t -54.38 153.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.17 60.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.9 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 4.6 p -164.77 133.47 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.98 149.09 36.29 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.494 1.786 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.88 -26.73 33.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.1 mt-10 -46.14 -57.4 8.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.459 HG22 HD12 ' A' ' 51' ' ' ILE . 24.5 mm -49.38 -43.78 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.65 -21.11 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -42.3 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 100' ' ' VAL . 3.9 pt -81.01 2.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.3 mt -98.64 -24.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -89.12 35.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -113.71 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.4 p -90.89 24.33 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -83.43 -27.07 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.91 131.61 34.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 58' ' ' ASN . 3.6 tt0 -45.26 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.6 m-80 -33.78 -40.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -58.63 -59.12 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 pt20 -50.37 -40.45 49.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.19 -60.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -31.92 46.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.912 HG21 HD21 ' A' ' 110' ' ' LEU . 14.5 mt -62.39 -41.72 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -58.34 -50.89 72.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -70.4 -35.14 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.09 -48.91 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -54.08 -45.31 71.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 64' ' ' THR . 20.8 t -62.4 -38.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -42.26 -28.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.08 -53.41 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -49.24 -45.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -45.43 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -75.17 -36.79 61.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.718 HD23 HG21 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -57.45 -17.59 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.01 31.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.718 HG21 HD23 ' A' ' 74' ' ' LEU . 22.5 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 23.1 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.525 0.203 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -8.9 31.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.924 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -68.75 -49.64 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -35.66 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 2.4 t80 -83.81 53.01 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 3.4 m-85 -172.38 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -49.74 -45.69 49.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.2 p -69.08 -60.09 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 42.9 m-20 -89.07 106.83 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.485 ' C ' HD12 ' A' ' 96' ' ' ILE . 70.2 m -85.42 -41.99 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.1 tt0 -40.24 -52.35 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.5 Cg_endo -74.97 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.26 -21.0 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -77.72 -55.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.036 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.3 mp -50.32 -60.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.539 ' N ' HG22 ' A' ' 97' ' ' ILE . 55.3 t80 -46.43 -53.67 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' VAL . 20.3 m -59.64 -71.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.811 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -38.36 -41.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HG23 ' A' ' 63' ' ' ILE . 13.5 mm -67.44 -58.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CZ ' ' NE2' ' A' ' 106' ' ' HIS . 58.0 t80 -36.45 -63.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 4.4 t80 -52.1 -50.82 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 54' ' ' THR . 52.4 mt -51.07 -36.32 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.628 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 2.0 m-85 -82.15 -58.29 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.696 ' ND1' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -37.55 -70.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 6.4 m-85 -152.57 64.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.83 -112.64 2.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.3 m-85 -131.06 -19.05 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.912 HD21 HG21 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -49.74 134.96 19.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.1 mttm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.667 HD11 HG22 ' A' ' 68' ' ' VAL . 7.2 mm -41.27 -63.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 13.3 ttpt -39.19 -39.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.2 tptt -64.79 -61.7 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.637 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.74 -65.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.765 ' CE1' HD13 ' A' ' 71' ' ' ILE . 2.4 m-85 -40.63 -41.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.8 tt0 -75.39 -36.92 60.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -52.01 -27.52 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.912 ' O ' HG22 ' A' ' 130' ' ' ILE . 16.0 mt -91.24 -63.41 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.7 -27.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 131' ' ' ALA . 8.6 m-20 -87.88 -63.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -47.13 -44.34 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -65.04 -34.94 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -70.24 -7.24 40.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 12.8 t0 -80.64 -25.16 38.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -96.47 -34.94 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 25' ' ' LEU . 54.0 mt -56.0 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 10.5 t-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 7' ' ' LYS . 8.7 mm . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -29.84 -52.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.94 10.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.0 mt-30 -49.53 -32.85 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HD2' ' A' ' 7' ' ' LYS . 14.1 mt -62.39 -59.85 4.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -38.47 -55.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -54.82 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE2' ' OD1' ' A' ' 49' ' ' ASN . 12.6 m-30 -58.73 -71.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -44.4 -53.3 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.91 -37.24 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -88.41 40.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -140.91 -65.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.89 -179.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.253 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.32 -73.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.7 p -85.09 -178.39 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -92.11 -37.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -74.7 -4.98 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -35.8 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -64.59 -49.46 71.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 HD21 ' A' ' 134' ' ' LEU . 5.6 mt -55.15 -32.98 62.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.04 -21.25 40.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 1.3 t80 -74.52 -60.84 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' NE ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -38.58 -30.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -88.29 -64.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -45.61 -54.71 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.812 HG21 ' CG ' ' A' ' 106' ' ' HIS . 2.5 m -38.88 -42.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 33.99 5.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -170.54 60.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.56 -82.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.82 -74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.825 HG22 ' HB2' ' A' ' 39' ' ' SER . 11.2 t -126.11 -150.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -103.4 -36.57 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.514 ' H ' HG23 ' A' ' 36' ' ' THR . 4.9 t -80.84 5.01 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.825 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.3 OUTLIER -104.41 -30.15 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 27' ' ' PHE . 53.7 t -45.43 164.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.902 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.4 t70 -65.87 -163.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.902 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 55.95 141.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 148.28 35.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 34.6 mt -81.73 -38.34 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -37.43 -56.96 1.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 50' ' ' ILE . 15.4 mm -44.14 -51.48 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -29.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.58 ' OD1' ' CE2' ' A' ' 13' ' ' PHE . 4.6 t-20 -73.66 -41.61 62.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -82.88 6.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE1' ' A' ' 109' ' ' PHE . 2.7 mt -99.9 -23.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.51 39.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -111.71 -23.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 63' ' ' ILE . 1.7 p -108.4 28.18 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -64.74 -68.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.66 148.78 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 61' ' ' ILE . 7.0 pm0 -67.05 -27.94 67.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 16.2 t-20 -64.98 -25.84 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 38.4 mm-40 -72.66 -58.71 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -43.6 -43.47 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 57' ' ' GLU . 6.1 mt -64.83 -65.01 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 66' ' ' ILE . 25.5 mt-10 -51.68 -27.23 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.894 HG21 HD11 ' A' ' 110' ' ' LEU . 65.5 mt -73.03 -54.67 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.97 -60.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -37.8 75.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -60.54 -41.72 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -58.99 -43.93 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG2' HD11 ' A' ' 119' ' ' ILE . 45.1 t -62.03 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -39.96 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 2.6 t-20 -89.66 -60.87 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD13 ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -44.59 -44.77 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -50.33 70.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.6 m -66.93 -33.51 75.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.746 HD23 HG21 ' A' ' 77' ' ' VAL . 4.5 mt -62.96 -13.28 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.66 37.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -168.55 31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.746 HG21 HD23 ' A' ' 74' ' ' LEU . 68.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.527 0.203 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -71.02 -3.96 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.022 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.99 -46.72 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.7 -42.66 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -79.91 56.16 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.781 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 4.5 t80 -148.73 -48.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -41.2 86.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.5 p -71.22 -64.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.6 m-20 -94.04 102.59 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 96' ' ' ILE . 56.5 m -86.83 -41.72 13.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -41.57 -50.67 9.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.04 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.58 -24.93 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 97' ' ' ILE . 1.2 mt -74.32 -55.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.045 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -54.52 -41.51 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CE2' ' CE2' ' A' ' 102' ' ' TYR . 13.6 t80 -71.41 -23.71 61.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 52.0 t -83.65 -69.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.09 -38.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.668 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -73.8 -50.35 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.609 ' CE2' ' CE2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -41.73 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.47 -44.4 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 104' ' ' LEU . 13.0 mt -49.97 -42.96 49.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -81.16 -55.49 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.812 ' CG ' HG21 ' A' ' 31' ' ' THR . 2.2 m80 -37.78 -60.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.591 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 87.3 m-85 -163.13 64.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.67 -108.65 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 51' ' ' ILE . 7.0 m-85 -126.38 -34.43 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 63' ' ' ILE . 3.4 mt -48.79 149.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.74 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.74 ' N ' HG23 ' A' ' 118' ' ' ILE . 1.9 mp -38.43 -57.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -42.13 -52.35 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -54.49 34.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.699 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.16 -64.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.666 ' CD1' HD13 ' A' ' 71' ' ' ILE . 3.1 m-85 -41.61 -44.96 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -69.75 -34.81 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -57.0 -27.71 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 74' ' ' LEU . 6.8 mt -92.88 -60.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . . . -41.51 -28.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 17.9 t70 -86.43 -60.38 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -49.91 -49.2 50.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.022 HD11 ' HB2' ' A' ' 85' ' ' ALA . 7.5 tt -54.86 -19.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -90.09 20.17 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.29 -25.66 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.571 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -112.53 -31.56 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.799 HD21 HD13 ' A' ' 25' ' ' LEU . 81.3 mt -45.61 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 6' ' ' ILE . 18.8 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.055 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.28 -55.96 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 8' ' ' GLU . 1.2 tm-20 -53.84 -46.37 71.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.41 -28.36 29.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 7' ' ' LYS . 10.8 mt -68.48 -57.38 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -41.02 -58.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLN . 25.1 p -43.53 -64.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 19.4 m-85 -42.59 -72.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -46.1 -44.33 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.51 -31.87 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' SER . 4.4 mt-30 -73.9 -10.49 59.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -89.1 -74.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -84.98 -167.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' THR . 80.4 p -150.45 -52.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 23' ' ' GLU . 62.2 p -44.39 170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -25.76 14.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ASP . 59.7 mt-30 -76.79 1.59 16.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 22' ' ' GLN . 81.8 mt-10 -33.78 -46.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -62.34 -55.97 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.704 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.4 mt -67.52 -10.86 55.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . 11.3 m-20 -90.62 -34.27 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.7 m-30 -67.4 -66.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.73 -31.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.2 m -90.54 -79.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' ASP . 66.1 m -38.35 -57.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 29.7 m -36.67 -43.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 31.97 6.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' CYS . 16.7 mm-40 -140.82 33.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.3 t -135.15 -101.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.74 -53.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 39' ' ' SER . 11.6 t -124.75 -151.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' N ' HG23 ' A' ' 36' ' ' THR . 13.9 m-85 -104.39 -43.76 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.643 ' HB2' HD11 ' A' ' 44' ' ' LEU . 29.8 t -69.46 -6.51 30.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.586 ' HB2' HG22 ' A' ' 36' ' ' THR . 22.6 t -85.03 -28.05 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG21 ' HZ ' ' A' ' 107' ' ' PHE . 59.5 t -55.47 161.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 8.0 t70 -85.06 63.96 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.1 p -166.0 140.35 3.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.483 ' C ' ' HD2' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.97 145.29 31.39 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 38' ' ' SER . 32.8 mt -81.7 -33.55 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -41.06 -55.96 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.97 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.678 HG22 ' CD1' ' A' ' 51' ' ' ILE . 19.7 mm -47.42 -50.44 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.1 mtpt -50.59 -22.79 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 6.6 t-20 -78.61 -39.07 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -84.71 0.03 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 47' ' ' ILE . 21.1 mt -97.59 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -89.95 37.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.65 -33.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.818 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -97.18 24.79 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -68.17 -69.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.78 134.84 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.708 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.18 -21.26 21.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.21 -48.29 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -56.57 -55.35 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -53.13 -40.8 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.2 mt -61.61 -59.55 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.28 -29.1 57.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.818 ' CD1' HG22 ' A' ' 54' ' ' THR . 36.7 mt -73.19 -51.38 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -42.02 -63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 64' ' ' THR . 1.8 mttp -55.39 -42.26 73.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -48.72 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.65 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -58.48 -42.71 88.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 64' ' ' THR . 39.5 t -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -40.51 -51.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' THR . 4.5 t-20 -74.47 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.607 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -40.75 -59.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -47.82 -41.09 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASN . 23.4 m -72.69 -30.9 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 77' ' ' VAL . 6.2 mt -61.33 -13.04 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 p -84.39 42.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.6 m -170.41 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.674 ' CG1' ' CE1' ' A' ' 87' ' ' PHE . 72.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.474 0.178 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 74' ' ' LEU . 8.7 tpt -73.22 -4.68 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.74 -53.78 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t -53.22 -26.37 17.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.674 ' CE1' ' CG1' ' A' ' 77' ' ' VAL . 4.0 m-85 -83.35 47.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 3.6 t80 -125.87 -43.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -32.31 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 15.1 p -49.92 -44.92 50.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.496 ' HB3' ' CD ' ' A' ' 94' ' ' PRO . 16.7 m120 -166.93 134.42 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.4 p -84.7 -43.64 14.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.685 ' OE1' HD11 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -38.27 -52.59 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.496 ' CD ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.04 -50.37 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.28 -27.23 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 mt -70.17 -56.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.055 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -51.31 -43.46 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.02 -32.15 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' TYR . 51.4 t -74.4 -69.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.658 HG22 HD12 ' A' ' 50' ' ' ILE . 1.5 t -42.03 -54.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 6.2 mm -50.25 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.805 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -38.63 -68.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.791 ' CZ ' ' CE2' ' A' ' 107' ' ' PHE . 24.8 t80 -40.07 -60.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' PHE . 45.5 mt -38.7 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 1.043 ' CE2' HD13 ' A' ' 110' ' ' LEU . 13.4 m-85 -47.24 -50.79 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.511 ' HE2' ' HD2' ' A' ' 102' ' ' TYR . 6.1 m-70 -45.82 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.791 ' CE2' ' CZ ' ' A' ' 103' ' ' PHE . 3.9 m-30 -51.17 -31.62 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.26 63.23 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -124.38 -46.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -68.28 137.19 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' ILE . 2.7 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.666 HG21 ' CE2' ' A' ' 105' ' ' TYR . 20.3 mm -38.65 -68.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ILE . 3.5 ttpt -40.19 -47.99 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -50.72 -49.56 57.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.85 -66.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.805 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 11.7 m-30 -46.04 -24.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -84.37 -36.99 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -62.39 -29.03 70.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.556 HD13 HD22 ' A' ' 74' ' ' LEU . 2.3 mt -90.33 -54.14 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -39.63 -30.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -87.58 -52.15 5.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.35 -32.12 56.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.1 tt -82.72 -27.09 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.77 4.63 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.8 -22.21 29.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -104.82 -23.8 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 131' ' ' ALA . 19.7 mt -48.82 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 26.8 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.95 -53.66 52.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -56.9 -42.39 79.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.604 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.3 mt-30 -50.78 -38.65 49.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 7.8 mt -64.39 -54.18 36.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.3 mp -50.43 -65.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -33.11 -54.25 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 6.3 m-30 -54.7 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 5.6 t80 -63.77 -9.14 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -83.08 -35.15 25.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 6.2 pt20 -82.2 7.6 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -108.73 -66.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 23' ' ' GLU . 32.0 p -57.04 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.334 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -77.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -73.13 165.97 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -77.11 -18.74 57.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.556 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -88.61 0.86 55.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.76 -39.4 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 24.0 ptt85 -63.41 -52.18 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 134' ' ' LEU . 7.4 mt -64.31 -27.66 69.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' SER . 2.2 t70 -82.44 -25.29 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -69.24 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -36.81 -34.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.53 -75.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 29' ' ' CYS . 8.7 t -33.66 -38.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 99.2 m -77.76 50.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 33' ' ' GLU . 10.0 ptt180 -176.29 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 32' ' ' ARG . 2.2 mt-10 -90.78 27.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.4 p -120.94 -109.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -171.49 -58.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 37' ' ' PHE . 15.1 t -115.78 -145.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.737 ' CD1' ' CG ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -114.7 -27.01 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.616 ' H ' HG23 ' A' ' 36' ' ' THR . 40.1 t -77.02 -4.16 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -93.9 -31.69 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' VAL . 75.2 t -59.22 151.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.48 72.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.4 p -175.89 130.71 0.4 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 150.32 38.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.0 mt -80.87 -31.5 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 mt-10 -42.38 -58.78 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 50' ' ' ILE . 2.3 mm -45.76 -48.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -46.63 -27.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -77.01 -42.32 39.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.963 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -78.76 1.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.844 HD12 HG22 ' A' ' 47' ' ' ILE . 10.7 mt -102.35 -38.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -60.13 -14.9 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -67.3 -29.53 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.771 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.3 p -106.84 18.24 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 15.5 mmtt -93.92 25.17 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' NE2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.15 138.37 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.5 tt0 -48.23 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 57' ' ' GLU . 22.9 m120 -32.47 -45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 56' ' ' ASP . 3.4 mp0 -64.05 -67.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -47.51 -32.78 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.03 -63.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.6 mt-10 -53.2 -27.42 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 110' ' ' LEU . 18.9 mt -71.93 -54.59 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -40.49 -58.16 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' N ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -62.93 -50.24 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.2 mt -46.52 -44.55 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 119' ' ' ILE . 15.5 t -68.1 -42.64 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.52 -29.03 61.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' CG ' ' CE1' ' A' ' 98' ' ' PHE . 27.8 m120 -92.35 -36.82 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -66.72 -49.75 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 73' ' ' THR . 4.4 ptmt -47.46 -38.8 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 4.1 m -73.46 -35.3 65.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.715 HD23 HG21 ' A' ' 77' ' ' VAL . 3.2 mt -58.41 -17.5 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.29 34.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.97 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD23 ' A' ' 74' ' ' LEU . 41.2 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 133' ' ' TYR . 21.5 m-30 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.525 0.203 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 19.2 mmt -72.11 -39.52 68.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -58.69 -46.06 88.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -41.23 -54.68 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -46.42 -39.34 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.9 t80 -55.64 -21.43 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -61.57 -57.19 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 61.9 p -74.27 -71.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.407 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 1.1 t-20 -82.63 82.57 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 96' ' ' ILE . 57.6 p -89.43 -47.93 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 6.4 mt-10 -42.52 -50.63 12.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.94 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.454 1.765 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.632 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.86 -20.79 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.555 HG21 ' CG1' ' A' ' 11' ' ' ILE . 1.5 mt -76.05 -60.4 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.2 mp -40.69 -33.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CE1' ' CG ' ' A' ' 70' ' ' ASN . 5.1 m-30 -71.82 -47.51 52.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ILE . 16.6 t -44.19 -41.05 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.963 HG22 HD12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -69.6 -42.44 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 123' ' ' TYR . 3.3 mm -62.79 -34.84 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 3.6 m-85 -61.77 -73.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -36.39 -50.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 54' ' ' THR . 86.0 mt -50.0 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.9 m-85 -51.83 -24.81 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.1 OUTLIER -61.32 -34.3 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.574 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.737 ' CG ' ' CD1' ' A' ' 37' ' ' PHE . 15.2 m-85 -115.76 39.54 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PHE . . . 36.63 58.88 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.23 -47.03 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -62.94 138.54 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.8 mm -56.92 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 2.4 tttp -37.69 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' ILE . 3.6 tptt -63.82 -60.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.687 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.87 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.789 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 10.5 m-85 -43.51 -32.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.6 tt0 -78.58 -37.74 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.4 t -61.22 -25.69 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.657 HD12 HD13 ' A' ' 74' ' ' LEU . 3.7 mt -95.17 -56.75 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.592 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.6 -29.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 27.0 t0 -90.42 -59.06 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 2.5 m-80 -47.21 -44.74 22.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.7 tt -57.09 -32.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.87 1.76 11.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 41.1 t0 -85.96 -32.01 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 83' ' ' TYR . 9.3 p90 -131.88 37.31 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.07 -79.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -40.23 -52.89 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -36.32 55.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.485 HD23 ' N ' ' A' ' 10' ' ' LEU . 5.3 mt -57.65 -56.82 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.799 HG13 HG21 ' A' ' 96' ' ' ILE . 1.1 mp -46.61 -69.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' HG22 ' A' ' 11' ' ' ILE . 29.7 m -38.57 -67.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 50' ' ' ILE . 5.6 m-30 -37.67 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -43.01 -36.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.2 t-20 -51.58 -37.5 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.0 mt-30 -86.72 40.82 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -145.25 -71.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.94 -167.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.338 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -84.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -60.06 179.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.18 -40.93 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASP . 7.7 mt-30 -52.49 -28.55 20.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -42.19 -49.17 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' NH2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.96 -60.93 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.654 ' HA ' HD11 ' A' ' 28' ' ' ILE . 13.9 mt -59.77 -20.83 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -83.09 -31.31 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -69.44 -60.71 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 25' ' ' LEU . 3.3 pt -39.26 -30.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -87.27 -60.24 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.351 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.02 -63.04 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.746 HG21 ' HB3' ' A' ' 106' ' ' HIS . 5.4 m -48.54 -22.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 33.9 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -169.54 41.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.7 m -164.12 87.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -35.25 39.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -67.9 -21.3 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 40.4 m-85 48.45 21.31 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.83 ' H ' HG23 ' A' ' 36' ' ' THR . 8.7 t -121.95 -6.25 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -89.15 -10.18 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.47 156.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -66.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.608 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.7 p -50.39 136.84 23.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 149.7 37.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 38' ' ' SER . 11.0 mt -81.4 -24.63 36.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.4 mt-10 -48.76 -58.94 7.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.773 HD13 HD11 ' A' ' 50' ' ' ILE . 4.1 mm -52.29 -36.39 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -13.38 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' PRO . 29.9 t30 -88.9 -36.87 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.02 HD12 HG22 ' A' ' 100' ' ' VAL . 6.0 pt -85.1 -1.67 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.599 ' HA ' HD21 ' A' ' 104' ' ' LEU . 14.0 mt -88.3 -40.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.85 -13.11 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 50' ' ' ILE . 5.9 tp -53.15 -31.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.451 HG22 HD13 ' A' ' 63' ' ' ILE . 6.0 p -100.12 20.98 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.94 -39.13 91.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.07 145.12 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.8 pt-20 -65.56 -33.28 75.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.77 -45.53 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.95 -54.81 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mt -50.38 -65.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.1 tt0 -53.05 -27.65 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.782 HG21 HD21 ' A' ' 110' ' ' LEU . 13.4 mt -73.79 -52.72 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -40.69 -59.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.12 -47.26 85.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.1 mt -51.67 -41.02 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' THR . . . -59.3 -43.93 92.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' ASN . 43.6 t -64.53 -48.34 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -40.98 -29.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -95.49 -53.56 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -48.7 -49.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -42.37 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -57.76 -29.97 65.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.001 HD13 HD12 ' A' ' 126' ' ' ILE . 36.6 mt -82.13 48.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.47 -6.88 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.908 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 63.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 126' ' ' ILE . 1.1 mpt? -56.88 -19.89 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.881 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -62.4 -46.78 87.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -49.86 -24.61 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 77' ' ' VAL . 1.5 t80 -87.65 50.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 1.019 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 18.4 t80 -143.02 -44.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -45.54 73.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -51.89 -40.99 61.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 70.7 m-20 -137.8 108.33 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.868 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -84.36 -44.05 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -37.73 -52.85 2.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.019 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -48.51 -31.26 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 92' ' ' SER . 2.0 mt -71.85 -57.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.573 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -60.52 -35.49 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.747 ' CZ ' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -71.71 -27.36 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 9.0 t -75.32 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 1.02 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.13 -54.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.0 mm -51.27 -58.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.771 ' HE2' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -43.93 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 107' ' ' PHE . 1.3 t80 -34.12 -59.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' A' ' 51' ' ' ILE . 24.7 mt -44.35 -67.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.7 m-85 -54.09 -49.16 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.746 ' HB3' HG21 ' A' ' 31' ' ' THR . 0.0 OUTLIER -52.56 -51.5 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 2.9 m-85 -68.47 -36.8 79.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.09 77.75 1.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -141.05 -53.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.782 HD21 HG21 ' A' ' 63' ' ' ILE . 1.5 mt -59.46 151.69 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.648 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.6 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.839 HG22 ' CD2' ' A' ' 123' ' ' TYR . 13.6 mm -48.19 -71.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -42.24 -47.21 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -43.94 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.03 -64.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.4 m-85 -40.48 -31.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.76 -42.55 21.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.23 -28.19 10.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 1.001 HD12 HD13 ' A' ' 74' ' ' LEU . 15.4 mt -90.78 -62.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -39.73 -29.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -82.06 -64.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 3.4 t-20 -49.79 -48.94 50.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.881 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -55.82 -22.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.82 10.39 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 51.6 t0 -74.07 -55.48 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -76.28 -20.41 57.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.6 mt -49.95 -80.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 53' ' ' ILE . 11.7 mm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.626 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -31.47 -47.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -57.2 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -47.99 -40.56 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.26 -60.67 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -39.64 -61.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.1 t -38.98 -62.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.697 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 18.3 m-85 -53.72 -72.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -43.08 -36.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.49 -41.41 96.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.9 mt-30 -73.0 -3.3 25.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -107.25 -88.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 15.8 p -97.7 110.47 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -72.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -40.91 152.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -75.63 -47.78 25.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.655 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.23 -35.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.79 -35.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.05 -52.32 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.688 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.6 mt -67.06 -21.09 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-20 -81.67 -26.55 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.7 m-30 -72.72 -66.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -38.62 -32.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' PHE . 49.2 t -90.21 -76.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 19.6 m -40.79 -61.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 106' ' ' HIS . 30.2 m -39.31 -51.46 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.69 34.84 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -167.88 50.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -136.88 -102.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -170.92 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 38' ' ' SER . 1.1 t -131.85 170.57 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 107' ' ' PHE . 3.0 m-85 -64.28 -38.68 91.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.785 ' CA ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -78.45 4.56 12.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 36' ' ' THR . 9.4 t -100.2 -18.72 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 41' ' ' ASP . 97.8 t -72.07 164.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -68.38 -57.19 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 47' ' ' ILE . 6.0 p -44.08 138.12 3.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 145.21 31.2 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD11 ' CA ' ' A' ' 38' ' ' SER . 12.6 mt -82.11 -28.66 32.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -45.87 -57.37 8.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HD12 ' A' ' 51' ' ' ILE . 11.3 mm -45.78 -50.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -47.25 -27.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.697 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 t-20 -75.38 -42.61 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 100' ' ' VAL . 2.3 pt -82.51 4.57 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.669 HD12 HG22 ' A' ' 47' ' ' ILE . 10.6 mt -102.36 -29.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.61 36.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -108.05 -38.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.767 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -89.76 14.13 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -7.28 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.6 m-20 -104.8 139.48 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' ASN . 1.9 tt0 -50.88 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.2 m-20 -35.36 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -64.42 -59.15 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' CG ' ' HD3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -57.53 -27.78 62.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 2.4 mt -76.39 -56.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.07 -31.34 65.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.781 HG21 HD21 ' A' ' 110' ' ' LEU . 15.6 mt -65.81 -51.39 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.97 -58.75 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -43.82 97.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.4 mt -53.07 -54.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.66 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 119' ' ' ILE . 6.8 t -64.74 -51.82 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.9 t30 -39.75 -31.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.517 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -97.84 -54.87 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -46.13 -56.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.92 -36.32 7.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 m -76.87 -32.31 57.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -60.15 -15.46 24.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -65.2 -10.38 31.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.074 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -8.85 24.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 74' ' ' LEU . 7.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.528 0.204 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . 2.0 tmt? -36.04 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.16 -45.64 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 0.4 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.2 m-85 -85.43 44.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 1.006 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 14.9 t80 -132.62 -45.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 20.1 p -64.42 -48.69 74.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.7 p -56.39 -56.42 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 35.8 p-10 -113.17 101.86 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 96' ' ' ILE . 1.4 m -84.26 -41.7 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.5 mt-10 -38.0 -53.46 2.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.162 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.49 ' CG ' ' HB2' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.006 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -47.48 -27.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 92' ' ' SER . 1.4 mt -76.24 -59.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -51.4 -35.49 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -63.42 -63.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 -59.26 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.954 HG22 HD12 ' A' ' 50' ' ' ILE . 4.2 t -43.86 -61.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.2 mm -53.58 -46.07 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 123' ' ' TYR . 1.2 m-85 -57.68 -75.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -36.47 -51.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.03 -50.05 65.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.3 m-85 -68.82 -44.17 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.527 ' HB3' HG22 ' A' ' 31' ' ' THR . 17.1 m-70 -41.4 -60.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 22.3 m-85 -67.21 -63.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 13.8 m-85 -91.34 -58.15 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -55.44 147.07 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.562 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.893 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.9 mm -59.4 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -46.71 -25.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.23 -65.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.893 ' CD2' HG22 ' A' ' 119' ' ' ILE . 3.5 m-85 -41.47 -40.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.85 -38.06 73.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -57.22 -28.28 62.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.64 HD13 HD22 ' A' ' 74' ' ' LEU . 3.2 mt -93.94 -56.43 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 130' ' ' ILE . . . -46.8 -25.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 71.2 m-20 -89.37 -60.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -49.95 -34.93 22.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.9 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -69.72 -30.86 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.83 2.96 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -82.06 -30.75 31.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -93.17 -18.78 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 131' ' ' ALA . 23.4 mt -59.14 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 9' ' ' GLN . 31.2 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.685 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.93 -29.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 6' ' ' ILE . 3.2 tt0 -64.64 -52.05 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.28 -28.36 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 7.8 mt -63.06 -47.97 80.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.85 -58.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -41.4 -63.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HD2' HG22 ' A' ' 50' ' ' ILE . 4.6 m-30 -36.53 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.791 ' CD1' HG21 ' A' ' 50' ' ' ILE . 1.2 m-85 -30.48 -48.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.5 t-20 -37.95 -46.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.4 pt20 -80.89 47.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -160.48 -73.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 28.9 p -132.46 106.75 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 27.68 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -77.59 -159.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -104.99 -53.87 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' ASP . 23.0 mt-30 -74.81 -2.3 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -37.53 -35.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG3' HD23 ' A' ' 25' ' ' LEU . 1.6 ptp85 -77.53 -50.69 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' HG3' ' A' ' 24' ' ' ARG . 12.9 mt -68.7 -7.96 38.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLN . 3.0 m-20 -87.78 -38.75 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.2 m-85 -67.11 -61.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 130' ' ' ILE . 2.2 pt -49.3 -25.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 46.5 t -86.93 -73.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.259 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -41.71 -48.77 4.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 HG21 ' CE2' ' A' ' 102' ' ' TYR . 86.7 m -48.37 -41.18 27.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.05 18.64 15.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -148.23 48.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -168.8 91.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -48.82 -29.89 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.749 HG23 ' N ' ' A' ' 37' ' ' PHE . 1.8 t -103.59 -155.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.749 ' N ' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -123.95 -37.73 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.932 ' HA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -61.65 -13.07 19.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -80.4 -48.74 12.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -43.49 146.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.935 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.4 t0 -56.97 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' ASP . 3.4 p 56.68 142.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 147.47 33.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 38' ' ' SER . 24.9 mt -82.03 -11.77 58.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mt-10 -61.87 -59.8 12.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.562 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -75.06 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 50' ' ' ILE . 6.7 mm -51.74 -40.82 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.0 -12.4 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 7.3 t-20 -85.05 -37.25 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.791 HG21 ' CD1' ' A' ' 14' ' ' PHE . 29.6 pt -85.85 -7.75 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.5 mt -77.82 -23.23 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -90.07 26.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -100.76 -28.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.57 HG22 HD13 ' A' ' 63' ' ' ILE . 4.4 p -98.65 -17.49 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -44.08 -44.12 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 6.6 m-20 -63.71 144.59 56.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 2.2 tt0 -58.75 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' GLU . 72.5 m-20 -37.46 -35.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 4.4 mm-40 -57.89 -54.11 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 2.5 mm-40 -51.53 -52.61 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -63.56 -52.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -55.2 -29.7 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 110' ' ' LEU . 22.4 mt -67.96 -46.68 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.99 -56.66 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.44 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 -47.76 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.58 -44.99 85.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 64' ' ' THR . 36.8 t -60.03 -38.6 77.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -51.95 -22.71 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.513 ' ND2' ' HB2' ' A' ' 98' ' ' PHE . 24.1 t-20 -92.29 -37.69 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.685 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -69.86 -49.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -52.23 -26.3 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 m -86.94 -41.59 13.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.939 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -49.32 -26.83 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.85 62.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -170.19 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.57 HG21 HD23 ' A' ' 74' ' ' LEU . 21.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE2' ' CD1' ' A' ' 133' ' ' TYR . 52.1 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mmt -77.09 0.53 21.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.905 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -82.3 -44.34 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . 55.5 m -63.49 -46.23 87.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -48.88 -55.83 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.4 m-85 -61.35 -16.25 44.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -63.83 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.1 p -70.08 -41.99 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.505 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 3.9 t-20 -93.34 89.4 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ILE . 52.4 p -86.5 -47.37 9.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -37.37 -53.4 2.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -75.0 -47.13 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -53.7 -22.82 9.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 97' ' ' ILE . 1.9 mt -78.57 -57.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.555 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -54.29 -36.08 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.513 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 18.4 t80 -72.43 -59.74 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.9 -65.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 14' ' ' PHE . 2.3 t -41.96 -59.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.795 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.3 mm -51.16 -66.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.448 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 61.6 t80 -35.88 -64.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -45.75 -44.48 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 108' ' ' GLY . 25.0 mt -62.04 -73.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -39.41 -60.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.448 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -38.69 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -149.73 76.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -141.88 -106.43 0.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' ILE . 22.3 m-85 -131.5 -30.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.904 HD11 HG21 ' A' ' 63' ' ' ILE . 2.0 mt -48.19 154.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 2.2 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 68' ' ' VAL . 6.9 mm -42.49 -69.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 2.1 ptmt -42.72 -32.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.52 -54.25 39.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.84 -62.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -37.78 -36.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 28.8 tt0 -81.9 -43.05 18.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -44.55 -27.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.939 HD12 HD13 ' A' ' 74' ' ' LEU . 14.6 mt -90.97 -63.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -41.24 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -83.05 -61.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -50.02 -44.25 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.905 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -62.51 -28.99 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -84.63 3.71 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.47 -27.42 22.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -100.81 -19.9 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 131' ' ' ALA . 10.7 mt -51.94 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 4.2 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' GLN . 11.7 mm . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -42.52 -39.12 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -44.62 96.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 mt-30 -55.06 -33.95 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.14 -42.6 84.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.978 ' CG1' HD13 ' A' ' 96' ' ' ILE . 1.2 mp -60.03 -61.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -39.29 -58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 4.2 m-85 -42.48 -90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 20' ' ' THR . 0.1 OUTLIER -43.98 -36.65 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -59.19 -38.07 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 4.1 pt20 -89.45 28.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -118.5 -65.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -132.21 156.22 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -58.89 -16.47 17.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.935 HG23 ' O ' ' A' ' 18' ' ' CYS . 43.6 p 42.38 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.458 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER 80.52 -56.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 4.2 pt20 -95.68 -34.29 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -57.29 -47.89 80.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 25' ' ' LEU . 10.6 ptt180 -43.31 -47.41 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 28' ' ' ILE . 4.3 mt -64.34 -35.44 80.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.4 t0 -84.92 -7.09 59.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 40' ' ' VAL . 62.6 t80 -89.47 -58.36 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -37.99 -31.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.26 -61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.273 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.504 ' HA ' ' HG3' ' A' ' 33' ' ' GLU . 38.0 m -46.96 -48.51 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.773 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 23.8 m -55.46 -17.04 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.46 31.78 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -171.14 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 m -118.32 -93.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.85 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.5 t -116.48 -151.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -104.29 -40.49 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -71.13 -5.12 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -88.95 -32.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 27' ' ' PHE . 98.7 t -57.01 147.92 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.885 ' O ' HG12 ' A' ' 42' ' ' VAL . 12.1 t0 -53.91 163.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.911 HG23 ' HB2' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 91.88 135.47 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.03 158.75 41.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 69.3 mt -84.12 -15.86 45.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 mt-10 -56.32 -56.33 32.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.95 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 47' ' ' ILE . 7.0 mm -48.58 -50.48 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.5 -15.54 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.609 ' CG ' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t-20 -84.36 -34.79 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.8 HD12 HG22 ' A' ' 100' ' ' VAL . 9.3 pt -87.46 -21.67 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 109' ' ' PHE . 5.0 mt -66.74 -21.93 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 29.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -109.75 -24.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.724 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.9 p -111.73 20.57 16.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -71.6 -55.93 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.65 132.11 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.721 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -55.85 -29.96 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 90.9 m-20 -67.97 -34.62 76.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.02 -46.71 64.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.01 -37.05 68.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 57' ' ' GLU . 7.0 mt -71.54 -57.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -35.47 70.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.868 ' CG2' HD21 ' A' ' 110' ' ' LEU . 28.6 mt -59.91 -44.94 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -53.64 -56.21 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.11 82.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -51.39 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.48 -40.96 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 64' ' ' THR . 37.9 t -65.24 -54.17 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.5 t30 -38.93 -30.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -97.04 -54.59 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -46.79 -50.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -51.7 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -61.43 -33.48 73.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.4 mt -61.27 -14.41 26.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.02 47.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.7 m -169.94 -66.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.537 HG13 ' CG ' ' A' ' 87' ' ' PHE . 5.1 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' A' ' 133' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.538 0.209 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.585 ' SD ' HG21 ' A' ' 126' ' ' ILE . 49.3 ttp -63.96 -22.46 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.009 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.16 -43.23 98.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -32.2 70.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CG ' HG13 ' A' ' 77' ' ' VAL . 24.1 t80 -90.27 23.81 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -32.37 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 t -64.17 -49.38 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.7 p -60.17 -49.87 75.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -101.24 99.66 10.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 53.1 p -86.27 -48.01 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.489 ' CG ' ' HE2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -37.75 -53.23 2.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.74 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.978 HD13 ' CG1' ' A' ' 11' ' ' ILE . 9.8 mt -72.02 -66.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.565 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -52.74 -40.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -48.43 -69.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -47.13 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.35 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.8 HG22 HD12 ' A' ' 50' ' ' ILE . 1.4 t -39.23 -53.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.498 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -55.34 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 26.1 t80 -40.41 -57.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 5.8 t80 -37.72 -64.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' TYR . 4.5 mt -49.56 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.3 m-85 -34.41 -58.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.8 t60 -39.84 -61.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.565 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.773 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -165.63 76.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -142.94 -104.24 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 5.7 m-85 -121.84 -38.12 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD21 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -50.16 136.2 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.894 HG22 ' CD2' ' A' ' 123' ' ' TYR . 31.9 mm -41.68 -62.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -43.62 -36.64 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -69.8 -44.3 70.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 125' ' ' THR . . . -66.28 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.894 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.5 m-85 -42.28 -35.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.34 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -54.35 -28.14 40.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.585 HG21 ' SD ' ' A' ' 84' ' ' MET . 4.7 mt -92.96 -57.85 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.62 -29.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.6 OUTLIER -87.44 -57.69 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 19.1 t-20 -48.79 -45.35 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.009 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.8 tt -58.71 -30.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.62 2.18 26.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 6.2 t70 -87.33 -22.79 24.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -102.09 -25.53 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 44.6 mt -50.4 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 3.3 t30 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.7 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -39.83 -44.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -48.28 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -57.07 -37.42 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 13.5 mt -56.88 -45.26 82.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.476 HG13 HD13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.13 -56.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 9.2 m -42.4 -63.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 1.9 m-85 -37.68 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 1.031 ' CE1' HG21 ' A' ' 100' ' ' VAL . 1.9 m-85 -32.21 -46.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.8 t-20 -39.09 -45.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.3 mt-30 -81.42 46.54 0.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -159.88 -76.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m -160.52 120.25 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -145.94 21.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -78.18 -165.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -115.72 -44.5 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -64.24 -52.12 60.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 41' ' ' ASP . 23.9 mt-10 -54.45 -36.12 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mtm-85 -59.62 -54.39 46.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 134' ' ' LEU . 3.8 mt -56.7 -32.05 65.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.53 -22.22 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -72.37 -60.87 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.43 -30.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' N ' ' C ' ' A' ' 27' ' ' PHE . 49.1 t -86.23 -75.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -39.47 -53.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.841 HG21 ' ND1' ' A' ' 106' ' ' HIS . 17.3 m -38.1 -56.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 29.38 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -170.22 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -127.1 -103.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.47 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 38' ' ' SER . 5.4 t -99.04 -18.9 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.618 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 19.0 m-85 63.82 10.47 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.774 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -126.14 1.01 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 36' ' ' THR . 1.1 m -126.54 18.61 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 41' ' ' ASP . 52.9 t -48.36 -96.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' HG12 ' A' ' 40' ' ' VAL . 16.7 t0 -139.02 -54.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 p -58.8 140.29 86.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.04 147.85 34.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.529 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 22.2 mt -82.17 -31.98 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.8 mt-10 -42.96 -58.0 4.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -75.04 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 15.8 mm -49.47 -49.58 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.3 mttm -59.29 -16.15 20.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 9.9 t-20 -78.59 -35.01 46.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.822 HG21 ' CD1' ' A' ' 14' ' ' PHE . 33.1 pt -85.82 -36.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 9.6 mt -46.66 -24.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.64 36.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.1 tp -110.48 -35.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.618 ' CG2' HG23 ' A' ' 53' ' ' ILE . 2.1 p -104.27 23.85 12.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -73.29 -34.94 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 169.36 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.6 -51.35 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -58.99 -18.3 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -56.02 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -49.7 -41.23 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 61.3 mt -63.79 -62.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -35.02 59.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.975 HG21 HD21 ' A' ' 110' ' ' LEU . 39.5 mt -62.76 -50.9 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.81 -58.47 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -47.54 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.92 -45.07 74.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 119' ' ' ILE . 15.7 t -68.28 -33.32 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -61.39 -31.78 71.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -92.87 -36.64 12.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.677 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -65.05 -47.11 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -47.44 -24.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 71' ' ' ILE . 33.0 m -88.01 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.944 HD13 HD12 ' A' ' 126' ' ' ILE . 2.6 mt -54.56 -19.8 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.84 28.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 74' ' ' LEU . 21.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 126' ' ' ILE . 1.3 tmm? -51.3 -20.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.915 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.94 -42.67 38.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 90' ' ' THR . 52.3 m -63.67 -36.13 82.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' VAL . 14.6 t80 -52.57 -37.48 58.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE1' ' SD ' ' A' ' 84' ' ' MET . 76.5 m-85 -60.04 -39.2 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 -49.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 86' ' ' SER . 53.3 p -49.76 -49.86 46.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 29.3 m-80 -139.04 107.81 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 96' ' ' ILE . 22.2 m -85.47 -35.07 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.0 mt-10 -46.65 -54.42 19.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.5 Cg_endo -74.95 -43.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 88' ' ' PHE . . . -57.4 -21.15 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.476 HD13 HG13 ' A' ' 11' ' ' ILE . 3.5 mt -78.94 -63.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.444 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -43.05 -59.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -50.32 -49.09 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.9 t -50.38 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.345 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 1.031 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -46.29 -36.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -69.75 -77.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 5.6 t80 -43.29 -27.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.625 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 11.8 t80 -61.98 -60.5 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 54' ' ' THR . 1.8 mt -56.57 -18.48 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 4.6 m-85 -90.73 -39.6 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.841 ' ND1' HG21 ' A' ' 31' ' ' THR . 0.4 OUTLIER -78.4 1.51 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.601 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CD2' ' NE2' ' A' ' 106' ' ' HIS . 2.1 m-85 -129.19 -41.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 109' ' ' PHE . . . 109.01 105.56 2.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 3.8 m-85 -176.35 -42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.975 HD21 HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -64.48 133.89 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 123' ' ' TYR . 6.4 mm -58.91 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 0.4 OUTLIER -41.09 -30.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -54.21 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.27 -70.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' A' ' 119' ' ' ILE . 14.0 m-30 -39.78 -31.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 9.5 mm-40 -84.6 -42.2 15.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -53.37 -22.81 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD13 ' A' ' 74' ' ' LEU . 9.5 mt -97.16 -62.43 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.47 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -45.7 -25.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 131' ' ' ALA . 34.8 t0 -90.86 -59.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 125' ' ' THR . 56.7 m-20 -47.42 -37.27 11.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.915 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.6 tt -67.94 -37.44 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.66 -11.01 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.42 -29.08 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.511 ' N ' ' CD1' ' A' ' 133' ' ' TYR . 0.6 OUTLIER -90.54 -34.04 15.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 25' ' ' LEU . 68.0 mt -59.9 -70.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 6' ' ' ILE . 22.8 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.7 ' CD ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -35.66 -59.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.47 -52.08 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 1.8 mt-30 -49.99 -40.7 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.6 mt -66.77 -61.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.537 HD12 ' NZ ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -39.48 -62.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -38.43 -68.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 50' ' ' ILE . 9.4 m-30 -43.73 -64.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t80 -57.94 -14.64 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.4 t-20 -76.07 -36.88 58.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.01 -3.43 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.908 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -105.38 -81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.597 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 58.9 m -154.07 114.24 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -119.68 -92.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' SER . 15.0 p 35.07 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' GLN . 67.0 m170 -111.62 -77.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.641 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.8 mm100 -36.19 -45.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -35.9 -43.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.58 -68.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD21 ' A' ' 134' ' ' LEU . 13.4 mt -56.17 -30.07 61.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.74 -26.54 60.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -70.49 -63.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.675 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -39.37 -30.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' PHE . 25.3 m -88.05 -60.27 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p -45.75 -47.69 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.975 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 1.9 m -76.47 54.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 174.97 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -92.21 30.17 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -122.52 -102.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.91 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -127.91 -158.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HB2' ' CD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -101.56 -31.21 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.552 ' OG ' HD11 ' A' ' 44' ' ' LEU . 43.5 t -82.89 7.26 15.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -103.84 -25.72 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 52.1 t -51.95 158.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -62.12 -57.05 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.908 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.9 p -38.24 136.77 0.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD11 ' OG ' ' A' ' 38' ' ' SER . 26.3 mt -82.64 -21.47 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.68 -57.61 13.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 42' ' ' VAL . 15.9 mm -48.19 -42.5 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -51.91 -27.23 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -75.72 -42.7 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.923 HD12 HG22 ' A' ' 100' ' ' VAL . 2.1 pt -82.51 5.12 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.596 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.9 mt -99.16 -24.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.71 37.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.35 -28.88 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 63' ' ' ILE . 4.3 p -103.98 20.85 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -62.21 -56.49 18.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.5 148.79 47.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 61' ' ' ILE . 15.2 pt-20 -65.02 -49.1 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 1.4 m-20 -49.04 -34.9 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ILE . 15.7 mm100 -66.12 -58.5 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 40.7 mt-30 -45.16 -44.59 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.7 mt -67.7 -63.0 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.3 mt-10 -49.68 -26.56 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.744 HG23 ' CD1' ' A' ' 101' ' ' ILE . 52.1 mt -72.32 -46.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -48.73 -52.44 23.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -43.34 80.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -52.7 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -52.47 -44.45 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 17.1 t -66.11 -49.0 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' VAL . 26.6 t30 -36.51 -39.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' THR . 8.9 t30 -88.59 -59.32 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -40.57 -52.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.87 -45.09 10.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.5 m -66.87 -34.25 77.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 mt -61.07 -15.19 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 m -79.6 52.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.2 t -170.36 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.576 HG21 ' HG3' ' A' ' 84' ' ' MET . 22.4 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.501 0.191 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HG21 ' A' ' 77' ' ' VAL . 4.1 mpp? -76.03 1.19 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -81.25 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -23.35 62.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 3.6 t80 -87.72 47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 13.4 m-85 -153.68 -43.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -40.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 19.8 p -84.28 -59.59 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.503 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.7 t-20 -80.32 89.32 5.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.2 p -87.05 -48.66 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -37.56 -53.36 2.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.503 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.99 -48.68 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.11 -21.36 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.6 mt -78.59 -53.34 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.7 HD11 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.12 -45.14 77.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 123' ' ' TYR . 5.2 t80 -62.93 -36.1 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -59.42 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.923 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -53.3 -39.09 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.744 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -71.13 -55.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 56.0 t80 -38.82 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -53.66 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.3 mt -44.97 -51.77 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 2.8 m-85 -66.05 -47.18 75.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.664 ' CE1' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.551 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.975 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -170.19 60.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -119.44 -107.87 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 51' ' ' ILE . 6.5 m-85 -120.9 -31.95 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 63' ' ' ILE . 3.0 mt -49.83 152.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.445 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.721 ' N ' HG23 ' A' ' 118' ' ' ILE . 7.0 mm -38.79 -58.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -39.14 -45.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.68 -62.21 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 125' ' ' THR . . . -51.54 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.676 ' CD1' HG22 ' A' ' 119' ' ' ILE . 5.8 m-85 -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -82.19 -39.94 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -50.04 -32.97 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 74' ' ' LEU . 6.1 mt -85.47 -61.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.95 -28.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.6 m-20 -82.7 -64.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER -49.96 -51.68 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -53.81 -20.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -90.55 22.54 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 129' ' ' ASN . 0.9 OUTLIER -89.5 -55.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -19.6 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 25' ' ' LEU . 31.6 mt -56.01 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 mm . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.598 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -47.17 -63.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -48.74 -43.97 38.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.73 -41.39 81.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.518 ' C ' ' CE2' ' A' ' 14' ' ' PHE . 17.8 mt -53.23 -57.54 10.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -41.65 -55.66 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -40.24 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 50' ' ' ILE . 11.5 m-30 -31.82 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 1.01 ' CE1' HG21 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -32.67 -51.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' PHE . 3.5 t30 -39.31 -45.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 15.4 mt-30 -81.08 46.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -157.55 -74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.575 ' CB ' HG23 ' A' ' 42' ' ' VAL . 52.3 t -162.74 83.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -83.65 -69.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.9 p 37.99 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.4 m-70 -137.49 -99.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.655 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -35.01 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' HIS . 31.4 mm-40 -39.4 -38.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' HD23 ' A' ' 25' ' ' LEU . 12.7 ptt-85 -54.36 -47.47 72.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.642 ' HA ' HD11 ' A' ' 28' ' ' ILE . 16.0 mt -62.3 -26.98 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.84 -9.1 52.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -89.83 -57.92 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -38.97 -30.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 4.8 t -90.36 -61.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -46.75 -55.72 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 35.8 m -42.03 -49.53 4.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 26.92 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -159.54 45.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -128.78 -99.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -170.66 -54.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' PHE . 3.1 t -137.31 -169.69 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 4.4 m-85 -91.4 -46.41 8.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.777 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -62.62 -12.63 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 36' ' ' THR . 3.3 m -78.78 -45.97 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -40.81 159.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 36.2 t0 -78.52 75.28 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 47' ' ' ILE . 5.4 p -175.56 135.01 0.48 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.04 148.33 34.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 38' ' ' SER . 35.3 mt -82.31 -34.76 28.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -40.52 -57.34 3.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 42' ' ' VAL . 10.4 mm -48.62 -34.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.85 -21.01 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' PRO . 10.7 t-20 -83.2 -40.06 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.797 HG22 ' HB3' ' A' ' 13' ' ' PHE . 3.7 pt -76.98 -4.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.571 ' CD1' HG22 ' A' ' 47' ' ' ILE . 3.7 mt -89.69 -33.27 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -68.79 -24.57 64.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -55.03 -23.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -113.99 15.71 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 23.3 mmtt -95.78 31.82 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -140.43 134.75 31.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.1 tt0 -42.34 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 12.6 p-10 -38.67 -48.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 20.8 mm-40 -51.34 -50.8 58.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.6 mt-30 -55.19 -50.66 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.81 -53.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.3 mt-10 -54.57 -38.46 66.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.876 HG21 HD21 ' A' ' 110' ' ' LEU . 21.7 mt -59.36 -52.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.14 -60.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -60.61 -47.45 86.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.3 mt -48.61 -42.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.55 HG12 ' HG3' ' A' ' 72' ' ' LYS . 47.9 t -64.35 -43.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 65.4 t30 -39.68 -31.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.3 t30 -92.7 -58.46 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -44.5 -52.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -40.07 -42.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.0 m -89.13 -33.96 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 HG21 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -61.93 -17.15 55.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 35.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.21 -66.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.181 HG11 ' CD2' ' A' ' 87' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.519 0.2 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -78.94 4.37 14.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -92.77 -46.17 7.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -51.33 -44.65 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 1.181 ' CD2' HG11 ' A' ' 77' ' ' VAL . 4.3 m-30 -47.9 -38.84 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -60.73 -21.45 62.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -61.37 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.9 p -80.85 -45.67 16.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.2 m-20 -87.35 76.98 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 96' ' ' ILE . 4.0 m -90.41 -50.84 5.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -47.06 -48.29 53.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.03 -46.9 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.48 -23.55 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.573 HG22 HD12 ' A' ' 97' ' ' ILE . 1.7 mt -71.91 -59.68 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.598 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -51.24 -50.65 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.71 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 1.6 t80 -58.3 -50.75 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . 43.3 t -41.38 -63.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 1.01 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -47.42 -58.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 63' ' ' ILE . 22.9 mm -42.94 -50.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -57.55 -53.37 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 107' ' ' PHE . 4.6 t80 -51.14 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 100' ' ' VAL . 7.5 mt -44.14 -49.0 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 2.0 m-85 -59.49 -43.68 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.8 OUTLIER -79.96 -2.76 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -110.87 -2.07 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.81 90.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -161.43 -60.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG21 ' A' ' 63' ' ' ILE . 1.6 mt -58.5 151.01 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.576 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 24.6 mm -40.51 -61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.0 -48.17 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -42.2 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.636 ' O ' HG22 ' A' ' 125' ' ' THR . . . -78.96 -63.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.729 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.6 m-85 -42.54 -34.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.62 -38.42 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.85 -31.46 39.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 130' ' ' ILE . 8.3 mt -86.52 -60.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.51 -27.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.0 t70 -85.44 -63.01 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 41.6 t-20 -49.58 -47.05 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -56.5 -23.05 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -85.49 6.86 25.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 29.4 t0 -76.96 -56.74 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -15.69 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 131' ' ' ALA . 12.0 mt -57.82 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' LYS . 6.1 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.739 ' HZ2' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -39.02 -60.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -45.27 -46.39 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.45 -38.62 90.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.93 -48.8 78.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -48.9 -62.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.6 m -37.73 -41.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 4.2 m-30 -78.91 140.75 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' SG ' ' A' ' 99' ' ' CYS . 2.4 t80 75.99 -48.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.01 -33.66 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.47 5.21 40.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.72 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' OE2' ' A' ' 23' ' ' GLU . 5.4 p -50.67 174.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.23 -85.94 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -46.56 167.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -86.47 -29.17 22.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -80.55 -4.32 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -38.99 -39.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 3.2 mpt_? -68.04 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.8 mt -46.38 -28.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -39.93 18.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.5 t80 -57.93 -65.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -36.18 -33.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -80.1 -73.43 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -34.52 -36.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.646 HG23 ' ND1' ' A' ' 106' ' ' HIS . 12.2 m -46.42 -44.54 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -116.85 32.12 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -172.01 73.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 t -151.93 -98.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.28 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.511 HG22 ' CB ' ' A' ' 39' ' ' SER . 4.0 t -140.27 -173.28 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.18 -43.46 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.46 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.1 t -72.8 -2.22 19.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.511 ' CB ' HG22 ' A' ' 36' ' ' THR . 1.5 m -93.09 -35.98 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -40.62 152.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -45.89 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.654 ' CG1' ' CE1' ' A' ' 103' ' ' PHE . 4.9 p -50.23 128.36 23.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.96 151.64 39.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 13.7 mt -81.45 -30.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -42.79 -57.54 4.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.819 HG21 ' CE2' ' A' ' 103' ' ' PHE . 16.3 mm -50.86 -35.94 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -64.54 -21.01 66.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -87.02 -26.15 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -88.66 -25.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 ' HA ' HD21 ' A' ' 104' ' ' LEU . 3.0 mt -60.71 -23.22 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.06 -25.26 63.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.599 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.5 tp -53.13 -32.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.741 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -107.96 28.58 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -55.64 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.12 -177.68 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.3 mm-40 -80.36 -50.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.4 m120 -37.06 -33.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 18.4 mm100 -74.66 -64.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.56 -38.9 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.6 mp -61.26 -65.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -55.73 -36.93 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 110' ' ' LEU . 63.7 mt -58.31 -52.2 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.79 -59.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.22 76.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -44.45 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.61 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 64' ' ' THR . 41.7 t -64.98 -49.63 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -41.14 -31.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.92 -54.54 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.592 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -46.9 -50.26 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.89 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.6 m -61.19 -41.25 96.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 126' ' ' ILE . 0.6 OUTLIER -40.12 -34.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.97 62.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.17 -39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' SER . 41.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.783 ' CE1' ' CD1' ' A' ' 133' ' ' TYR . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.557 0.218 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.07 -31.62 19.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -51.11 -55.44 17.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.9 p -48.89 -26.92 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -83.95 47.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -140.82 -43.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 t -45.81 -51.86 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -92.9 -42.61 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -89.35 78.38 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 29.8 p -90.53 -52.23 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.5 mt-10 -46.84 -47.56 52.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.99 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASN . . . -59.25 -19.31 44.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -77.56 -51.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.739 HD11 ' HZ2' ' A' ' 7' ' ' LYS . 1.5 mp -57.21 -39.73 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.669 ' CE1' ' CZ ' ' A' ' 123' ' ' TYR . 5.2 t80 -70.36 -35.37 73.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.583 ' SG ' ' CE1' ' A' ' 14' ' ' PHE . 7.5 t -57.43 -58.22 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -54.08 -48.38 64.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.872 ' CD1' HG23 ' A' ' 63' ' ' ILE . 4.0 mm -58.88 -52.54 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -34.99 -66.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.4 t80 -55.65 -60.95 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 51' ' ' ILE . 10.2 mt -34.98 -35.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.585 ' CE2' HD13 ' A' ' 110' ' ' LEU . 3.5 m-85 -90.35 -48.26 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.746 ' CE1' ' HB2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -37.14 -58.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.746 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 17.2 m-85 -167.76 49.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.19 3.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.457 ' CE1' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -129.21 -26.03 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -48.57 140.19 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.2 mttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 105' ' ' TYR . 13.5 mm -42.57 -66.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -43.52 -44.8 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -51.49 67.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.782 ' O ' HG22 ' A' ' 125' ' ' THR . . . -65.25 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.669 ' CZ ' ' CE1' ' A' ' 98' ' ' PHE . 6.3 m-85 -41.28 -32.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.44 -41.42 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 122' ' ' ALA . 2.5 t -51.16 -27.38 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.817 HD12 HD13 ' A' ' 74' ' ' LEU . 7.6 mt -92.69 -60.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -38.95 -30.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -85.1 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 33.0 t30 -51.27 -47.91 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -55.67 -31.18 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -75.93 -2.48 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.4 t0 -74.63 -27.26 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 83' ' ' TYR . 5.7 m-85 -97.69 -28.29 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.582 HD21 HD13 ' A' ' 25' ' ' LEU . 33.6 mt -68.87 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.2 mm . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.61 -39.91 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.32 -42.15 98.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' ILE . 4.2 mm-40 -57.01 -35.12 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.76 -42.98 85.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.801 HG13 HD13 ' A' ' 96' ' ' ILE . 1.1 mp -50.53 -68.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.631 ' N ' HG22 ' A' ' 11' ' ' ILE . 13.4 t -41.47 -58.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.4 m-30 -45.53 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.6 t80 -45.56 -41.02 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 34.3 t-20 -58.2 -33.25 69.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.7 mm100 -73.86 -3.86 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -99.23 -73.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.87 -164.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.43 -81.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -41.51 157.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.441 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -81.53 -35.7 30.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.11 14.11 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.22 -41.12 71.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 1.5 ptm85 -61.3 -31.46 71.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.669 ' HA ' HD11 ' A' ' 28' ' ' ILE . 6.1 mt -70.51 -40.83 73.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -10.8 59.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 103' ' ' PHE . 55.2 t80 -88.96 -61.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.48 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -83.05 -69.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -44.4 -49.86 9.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.002 HG21 ' CG ' ' A' ' 106' ' ' HIS . 24.5 m -37.74 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -135.8 31.94 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -149.19 35.36 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -132.43 -104.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 38' ' ' SER . 14.7 t -113.95 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -122.68 0.56 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.51 ' H ' HG23 ' A' ' 36' ' ' THR . 22.6 t -96.52 -5.03 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' C ' ' A' ' 40' ' ' VAL . 38.0 t -108.58 -73.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 41' ' ' ASP . 80.3 t 22.95 -109.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.712 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.7 t70 -151.56 32.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.1 p -158.19 131.88 4.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 150.91 38.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' O ' ' A' ' 37' ' ' PHE . 12.7 mt -81.18 -29.23 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -44.2 -58.69 4.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.04 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 51' ' ' ILE . 17.9 mm -46.99 -49.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -48.86 -26.02 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.6 t-20 -77.86 -39.14 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.002 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -83.25 0.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.649 ' CD1' HG22 ' A' ' 47' ' ' ILE . 17.7 mt -94.55 -26.38 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 41.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 HG23 HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -109.93 -34.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.743 HG22 ' CD1' ' A' ' 63' ' ' ILE . 2.2 p -95.17 29.49 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -67.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.29 163.76 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -79.46 -27.57 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 83.1 m-20 -61.04 -45.07 96.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -62.73 -54.14 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -43.96 -41.32 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 62' ' ' GLU . 4.9 mt -62.87 -74.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 66' ' ' ILE . 33.2 mt-10 -37.84 -56.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.862 ' CG2' HD11 ' A' ' 110' ' ' LEU . 94.1 mt -40.91 -65.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -34.71 -35.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ILE . 7.5 mttt -83.62 -48.62 10.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -50.24 -27.33 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -80.45 -47.34 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 64' ' ' THR . 33.8 t -62.57 -54.54 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -41.08 -31.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.3 m-20 -84.38 -45.12 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -59.83 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -54.07 -26.89 29.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -88.71 -33.32 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 84' ' ' MET . 2.3 mt -63.26 -12.99 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 52.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.14 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' SER . 2.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 74' ' ' LEU . 6.8 tpt -56.46 -23.5 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.994 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.06 -45.76 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -43.36 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.15 53.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.908 ' CE2' ' HB1' ' A' ' 95' ' ' ALA . 44.0 t80 -152.66 -43.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -67.84 -39.56 83.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -59.71 -62.37 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.507 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 84.1 m-20 -106.25 117.31 33.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.71 -40.43 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.6 mp0 -42.15 -50.94 10.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.908 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -51.02 -28.33 9.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.801 HD13 HG13 ' A' ' 11' ' ' ILE . 4.8 mt -71.78 -57.46 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -55.32 -51.78 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -45.4 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -41.03 -64.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 1.002 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -40.23 -49.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 66' ' ' ILE . 9.1 mm -63.56 -56.2 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -50.81 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 m-30 -36.14 -53.78 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 65.9 mt -48.16 -53.73 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.6 m-85 -66.03 -48.0 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 1.002 ' CG ' HG21 ' A' ' 31' ' ' THR . 0.2 OUTLIER -46.58 -50.73 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 33.4 m-85 -79.65 -62.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.92 92.61 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -148.36 -63.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.862 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -53.11 143.5 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.666 HD11 HG22 ' A' ' 68' ' ' VAL . 14.4 mm -52.69 -74.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -40.84 -41.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -56.6 -50.16 72.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.749 ' O ' HG22 ' A' ' 125' ' ' THR . . . -70.75 -62.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.0 m-85 -38.84 -48.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.65 -37.8 85.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -53.59 -28.11 30.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.447 ' C ' ' N ' ' A' ' 128' ' ' ASP . 10.1 mt -90.89 -62.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.89 -28.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.7 m-20 -83.3 -53.16 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.994 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -58.23 -21.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.68 2.86 47.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.48 -28.4 22.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -99.09 -12.95 20.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 131' ' ' ALA . 9.8 mt -53.28 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.5 mp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -32.77 -68.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -45.9 -46.51 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -61.2 -41.71 97.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 53' ' ' ILE . 17.4 mt -62.57 -52.46 63.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.805 HG13 HG21 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -38.86 -52.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -54.08 -62.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' ND2' ' A' ' 49' ' ' ASN . 3.5 m-30 -39.74 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 100' ' ' VAL . 34.2 t80 -45.1 -26.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t30 -68.65 -40.25 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -71.21 -13.48 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . . . -80.52 -71.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 27' ' ' PHE . 2.0 t -51.45 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.81 -85.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 p -93.95 -162.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.71 -54.77 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.64 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.18 -43.92 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -54.33 32.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -62.92 -17.63 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.94 -27.39 33.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 m-30 -73.09 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.3 pt -38.33 -30.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.37 -52.1 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.8 t -57.61 -62.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 27' ' ' PHE . 20.1 m -38.81 -60.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -36.21 61.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' SER . 2.0 mm-40 -97.88 33.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -154.6 83.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -27.18 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.463 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 14.7 t -95.06 -169.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.68 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -125.58 -1.17 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -99.41 -0.52 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -13.86 21.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 41' ' ' ASP . 48.6 t -74.66 160.63 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.2 t70 -70.33 -53.73 15.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 4.6 p -41.49 138.67 1.57 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 148.51 35.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD21 ' O ' ' A' ' 37' ' ' PHE . 31.5 mt -81.86 -39.59 23.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.2 mt-10 -36.36 -57.14 1.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.97 -52.47 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 42' ' ' VAL . 7.9 mm -44.7 -54.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.0 mttt -44.49 -26.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CE2' ' A' ' 13' ' ' PHE . 23.7 t-20 -75.71 -44.79 40.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 HD12 HG22 ' A' ' 100' ' ' VAL . 2.7 pt -78.36 0.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 48' ' ' LYS . 46.6 mt -90.3 -31.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.15 46.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 54' ' ' THR . 0.4 OUTLIER -131.55 -48.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.536 HG23 ' CG2' ' A' ' 53' ' ' ILE . 18.1 p -86.44 13.12 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.42 -64.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.83 134.9 20.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -62.31 -28.73 69.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -19.58 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -43.37 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -59.28 -35.32 73.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 64' ' ' THR . 8.8 mt -65.74 -64.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.12 -33.09 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.902 HG21 HD11 ' A' ' 110' ' ' LEU . 31.9 mt -63.02 -45.94 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -50.53 -54.18 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.19 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -62.21 -48.78 86.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -52.45 -44.15 65.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 64' ' ' THR . 29.2 t -59.99 -42.57 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -44.83 -67.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' ND2' ' H ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -58.94 -50.97 72.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 72' ' ' LYS . 1.2 mm -46.02 -68.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.604 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -40.06 -40.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 75' ' ' SER . 5.0 m -67.2 -46.82 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.958 HD13 HD12 ' A' ' 126' ' ' ILE . 3.6 mt -43.01 -27.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -68.34 64.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -169.6 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' PHE . 40.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.446 0.165 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.564 ' HA ' HG11 ' A' ' 77' ' ' VAL . 4.6 mmt -105.11 -5.4 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.898 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -75.54 -43.06 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -54.88 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.721 ' CD2' HG13 ' A' ' 77' ' ' VAL . 3.5 m-30 -56.48 -101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ASN . 53.2 t80 46.45 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -40.1 -50.5 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.6 p -51.84 -41.12 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 31.9 p-10 -144.08 94.39 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.609 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -81.48 -44.19 17.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 5.6 mm-40 -35.42 -55.07 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.1 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -49.91 -27.86 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.805 HG21 HG13 ' A' ' 11' ' ' ILE . 1.7 mt -74.02 -65.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -45.0 -30.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.34 -41.08 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 96' ' ' ILE . 2.3 t -70.14 -62.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 14' ' ' PHE . 2.2 t -44.26 -71.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.581 ' N ' HG12 ' A' ' 100' ' ' VAL . 7.1 mm -37.62 -64.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.615 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 22.7 t80 -45.17 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.489 ' N ' ' CD2' ' A' ' 102' ' ' TYR . 50.1 t80 -36.21 -43.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 108' ' ' GLY . 33.6 mt -67.47 -76.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.77 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -35.48 -61.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.615 ' CE1' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -38.13 -62.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 m-85 -161.82 79.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -149.44 -103.98 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CG ' HG23 ' A' ' 51' ' ' ILE . 4.0 m-85 -124.93 -38.73 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 111.038 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.902 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -49.77 139.06 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.791 HD13 ' N ' ' A' ' 119' ' ' ILE . 1.4 mm -58.53 -29.95 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -29.85 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.07 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.55 -67.33 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.748 ' CE2' HG22 ' A' ' 119' ' ' ILE . 3.2 m-85 -42.42 -37.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -71.67 -38.87 70.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -54.47 -28.94 48.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.958 HD12 HD13 ' A' ' 74' ' ' LEU . 7.3 mt -91.77 -61.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.412 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -46.28 -25.65 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 126' ' ' ILE . 43.2 t0 -83.87 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -50.13 -46.15 53.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.898 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -60.33 -27.66 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -89.88 4.91 48.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -84.37 -41.14 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 133' ' ' TYR . 0.7 OUTLIER -91.97 -1.71 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 25' ' ' LEU . 8.1 mt -65.47 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' LYS . 4.3 mm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HE2' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -37.0 -56.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.22 -53.38 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -46.81 -46.58 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.936 HD22 ' CD1' ' A' ' 53' ' ' ILE . 12.8 mt -61.87 -45.96 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.835 HG12 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -61.97 -59.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -29.9 -57.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -49.27 -64.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 27.2 t80 -60.54 -24.93 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 4.8 t-20 -57.36 -37.2 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 3.3 pt20 -85.37 37.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -144.23 -77.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -126.0 124.32 40.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.323 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.3 p -128.38 -47.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 23' ' ' GLU . 77.8 p -36.88 149.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 11.0 m-70 -83.76 -61.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -43.43 -26.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' OG1' ' A' ' 20' ' ' THR . 12.8 tp10 -64.73 -48.86 73.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -45.98 -54.84 7.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' CD2' ' A' ' 134' ' ' LEU . 7.0 mt -58.59 -36.9 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -9.62 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -85.56 -64.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -38.52 -30.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.42 -63.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' HG13 ' A' ' 40' ' ' VAL . 2.9 m -49.2 -56.41 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.53 HG21 ' CE2' ' A' ' 102' ' ' TYR . 3.0 m -36.96 -40.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.462 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 41.86 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -169.02 58.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -147.17 -102.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.64 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' OG ' ' A' ' 39' ' ' SER . 13.8 t -124.57 -145.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.653 ' N ' HG23 ' A' ' 36' ' ' THR . 3.7 m-85 -107.37 -44.26 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 44' ' ' LEU . 21.2 t -76.56 0.85 18.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 36' ' ' THR . 72.9 m -87.97 -21.56 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 41' ' ' ASP . 59.7 t -60.02 -115.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' N ' HG12 ' A' ' 40' ' ' VAL . 4.7 t0 -142.09 -56.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.8 p -54.06 134.79 58.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 149.81 37.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.3 mt -81.28 -32.82 33.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -41.37 -58.55 2.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.843 HD13 ' CD1' ' A' ' 50' ' ' ILE . 3.6 mm -45.3 -50.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -26.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' PRO . 16.2 t-20 -78.24 -44.3 25.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.87 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -74.8 -6.97 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -85.1 -28.21 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -15.68 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.936 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -53.11 -31.55 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.997 HG22 ' CD1' ' A' ' 63' ' ' ILE . 30.9 p -100.81 -89.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' N ' ' OG1' ' A' ' 54' ' ' THR . 29.4 mmmt 40.92 44.87 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.56 166.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.4 pm0 -83.65 -33.75 25.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -52.8 -54.86 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' CB ' ' HA ' ' A' ' 54' ' ' THR . 24.3 mm-40 -64.63 -47.1 79.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 111' ' ' LYS . 13.5 tt0 -53.02 -39.82 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.96 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -28.17 65.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.997 ' CD1' HG22 ' A' ' 54' ' ' THR . 44.7 mt -69.61 -43.22 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -52.7 -56.86 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.63 74.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -47.95 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -58.05 -43.12 86.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 119' ' ' ILE . 44.0 t -60.46 -40.13 83.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -45.52 -26.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' VAL . 7.8 m-80 -99.94 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -53.42 -46.18 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -31.96 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.65 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 126' ' ' ILE . 2.0 mt -54.75 -31.35 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 98.1 p -73.61 58.49 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.509 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -170.4 -37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 74' ' ' LEU . 22.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.596 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 7.2 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.512 0.196 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.698 ' HE1' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -74.53 -31.27 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.0 -45.34 71.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -69.95 -22.8 63.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' A' ' 77' ' ' VAL . 2.1 t80 -90.25 44.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 84' ' ' MET . 5.4 m-85 -130.95 -41.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 t -46.0 -46.87 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 30.0 p -68.92 -67.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 4.5 m-20 -84.82 97.2 9.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.621 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -89.14 -44.57 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 9.0 mt-10 -42.35 -48.74 12.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.04 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.09 -35.35 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.835 HG21 HG12 ' A' ' 11' ' ' ILE . 2.7 mt -67.53 -53.29 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.651 HD11 ' HE2' ' A' ' 7' ' ' LYS . 1.5 mp -60.94 -43.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CZ ' ' HE1' ' A' ' 84' ' ' MET . 1.1 m-85 -43.6 -63.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.69 -53.66 14.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 50' ' ' ILE . 2.0 t -50.54 -76.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.696 ' N ' HG12 ' A' ' 100' ' ' VAL . 2.9 mm -44.4 -62.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.762 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 92.5 t80 -31.82 -59.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.4 -47.73 80.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 22.7 mt -48.97 -34.6 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.8 m-85 -87.98 -60.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.762 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 1.1 m-70 -39.12 -58.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 51.7 m-85 -162.78 77.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.72 -106.54 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 7.7 m-85 -127.35 -35.0 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 ' CG2' ' A' ' 63' ' ' ILE . 4.1 mt -48.7 156.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 22.7 mttt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.969 HD11 HG22 ' A' ' 68' ' ' VAL . 7.5 mm -48.92 -70.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ILE . 11.0 ttpp -38.02 -44.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -51.99 54.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.71 -65.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.733 ' CD2' HG22 ' A' ' 119' ' ' ILE . 1.7 m-85 -38.02 -49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.46 -38.22 77.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -52.96 -29.51 29.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 74' ' ' LEU . 3.9 mt -92.93 -55.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.74 -27.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.4 t0 -89.27 -60.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -51.41 -35.3 38.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 28' ' ' ILE . 1.5 tt -65.96 -23.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -75.57 2.08 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.6 -49.43 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' A' ' 83' ' ' TYR . 6.3 p90 -108.54 37.79 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.95 ' CD2' HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.17 -81.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.8 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.4 -53.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.43 75.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -53.94 -46.6 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.68 -41.98 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.4 mp -62.02 -64.1 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -38.02 -48.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.891 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.3 m-85 -57.02 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -44.21 -29.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.55 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 t30 -59.98 -34.66 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.0 mm-40 -71.93 -7.42 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.694 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -98.27 -81.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.613 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 28.6 p -96.53 145.66 25.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 99.1 p -132.79 -45.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 5.1 p -37.22 152.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -40.75 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASP . 3.2 mm-40 -78.76 3.23 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -26.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.17 -64.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.569 HD11 ' HB1' ' A' ' 85' ' ' ALA . 14.3 mt -54.86 -22.36 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 30' ' ' SER . 69.2 m-20 -85.49 -22.71 28.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.778 ' CD1' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -76.45 -48.04 20.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.633 HG23 ' CE2' ' A' ' 27' ' ' PHE . 4.6 pt -52.23 -31.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.48 -59.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 72.7 m -48.07 -50.64 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.556 HG21 ' HE1' ' A' ' 102' ' ' TYR . 57.6 m -63.31 -8.38 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -138.39 31.01 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 tt0 -171.28 74.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 t -158.31 -104.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.34 -54.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 38' ' ' SER . 13.3 t -126.54 -163.75 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 26.3 m-85 -99.4 -23.49 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.646 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -86.99 6.02 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -102.11 -33.06 9.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.065 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 41' ' ' ASP . 56.8 t -44.75 165.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.7 t70 -79.92 63.71 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.694 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.0 p -174.82 132.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.98 143.07 28.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 38.1 mt -82.09 -15.13 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -58.26 -58.92 15.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.98 -43.76 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.529 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.4 mm -51.42 -40.65 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -59.79 -16.56 29.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 t30 -88.49 -33.88 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.53 -14.74 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 47' ' ' ILE . 11.9 mt -79.12 -23.06 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 4.8 pt-20 -66.36 -19.14 65.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -51.04 -28.98 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 1.029 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.4 p -105.39 23.39 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -58.59 -57.31 13.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.02 154.7 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.29 -32.89 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.6 -33.15 69.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 85.7 mm-40 -64.87 -55.63 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -43.61 -48.2 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 64' ' ' THR . 2.5 mt -56.17 -74.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 66' ' ' ILE . 2.2 mm-40 -37.74 -57.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.029 ' CD1' HG22 ' A' ' 54' ' ' THR . 90.0 mt -40.24 -63.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -35.04 -36.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.59 -47.05 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -53.57 -25.74 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.778 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -79.33 -48.18 14.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.954 HG22 HD11 ' A' ' 119' ' ' ILE . 47.3 t -59.22 -48.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.3 t-20 -39.26 -42.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' THR . 62.0 t30 -81.91 -57.5 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.642 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -42.94 -54.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.58 -43.34 17.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -68.32 -33.59 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.964 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -58.43 -17.5 21.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.1 m -86.06 46.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.08 -67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.912 HG21 ' SD ' ' A' ' 84' ' ' MET . 3.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 133' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.472 0.177 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 77' ' ' VAL . 17.5 mmt -73.48 -3.96 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.926 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -73.7 -45.01 54.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . 32.1 t -60.64 -52.35 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.545 ' CD1' HG13 ' A' ' 77' ' ' VAL . 9.5 t80 -45.23 -45.13 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.1 m-85 -65.69 -25.69 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.4 t -76.74 -51.28 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.0 p -50.78 -44.0 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 40.5 m-80 -121.36 100.91 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.694 ' O ' HD12 ' A' ' 96' ' ' ILE . 38.4 m -87.48 -13.44 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -69.0 -51.75 17.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -39.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.71 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 92' ' ' SER . 13.0 mt -67.48 -62.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -46.27 -50.88 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.721 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -65.17 -23.71 67.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -60.99 -40.98 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.887 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -72.35 -36.42 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 66' ' ' ILE . 36.4 mm -54.38 -69.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.778 ' CZ ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -44.29 -49.97 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.673 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 1.9 t80 -44.06 -65.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' PHE . 5.0 mt -44.0 -56.73 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.625 ' CE2' HD13 ' A' ' 110' ' ' LEU . 15.4 m-85 -54.84 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.52 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 14.9 m80 -47.66 -43.61 26.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 37' ' ' PHE . 11.1 m-85 -86.63 24.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 39.64 73.29 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -138.36 -47.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.837 HD11 ' CG2' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -69.81 132.36 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.954 HD11 HG22 ' A' ' 68' ' ' VAL . 8.2 mm -52.27 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -40.2 -34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -70.99 -51.22 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -55.16 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.721 ' CD1' ' CE1' ' A' ' 98' ' ' PHE . 6.7 m-85 -41.18 -44.97 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -37.32 84.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.06 -31.98 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.964 HD12 HD13 ' A' ' 74' ' ' LEU . 8.9 mt -87.6 -60.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 131' ' ' ALA . . . -41.06 -29.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 126' ' ' ILE . 3.8 t70 -82.01 -49.61 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 126' ' ' ILE . 2.5 t-20 -62.47 -53.25 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.9 tt -56.58 -32.69 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -73.29 -4.26 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.7 t70 -84.2 -36.24 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -85.6 -23.43 27.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 131' ' ' ALA . 30.5 mt -47.88 -79.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.959 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mm . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -46.81 -43.78 18.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.5 -45.57 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.31 -39.18 60.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD2' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -60.47 -58.93 6.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 96' ' ' ILE . 0.8 OUTLIER -42.44 -57.78 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -38.43 -62.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 21.1 m-85 -55.63 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -39.77 -45.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -50.59 -44.75 57.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 8.5 pt20 -85.83 43.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.848 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -147.95 -74.21 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.04 128.49 56.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -110.59 -58.03 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.8 p -37.33 155.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -100.18 -58.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -45.09 -28.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -51.47 -34.46 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.44 -60.41 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.852 HD13 HD21 ' A' ' 134' ' ' LEU . 6.7 mt -53.69 -23.1 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.1 -25.58 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -70.17 -57.49 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.728 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.39 -29.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -90.25 -70.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -38.96 -47.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.811 HG21 ' ND1' ' A' ' 106' ' ' HIS . 14.7 m -36.19 -46.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -116.0 40.66 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -156.38 46.71 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -127.23 -106.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.85 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.586 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 11.1 t -112.67 -19.15 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 78.33 -40.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 36' ' ' THR . 1.4 t -66.37 -9.32 32.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -21.6 23.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.2 t -45.56 158.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.971 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.0 t0 -49.03 154.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 95.74 134.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.0 148.57 35.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.83 -12.85 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -59.93 -56.6 34.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.95 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 50' ' ' ILE . 7.7 mm -43.18 -54.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -27.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.577 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.14 -42.68 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.885 HD12 HG22 ' A' ' 100' ' ' VAL . 2.5 pt -83.59 8.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.595 HG21 ' CE1' ' A' ' 109' ' ' PHE . 1.8 mt -100.67 -25.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.27 13.61 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -93.79 -19.77 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 104' ' ' LEU . 2.4 p -115.1 22.42 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -72.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.98 147.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -67.86 -29.93 69.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 18.1 m120 -66.17 -33.14 75.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.5 -57.26 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -46.57 -42.7 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 37.7 mt -64.09 -72.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 tt0 -46.19 -25.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.866 HG21 HD11 ' A' ' 110' ' ' LEU . 34.6 mt -77.19 -43.23 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -50.85 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -36.53 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.6 mt -60.09 -42.2 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.78 -42.44 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 119' ' ' ILE . 45.8 t -59.63 -38.93 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -50.77 -22.69 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -93.2 -40.41 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -66.88 -51.58 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.173 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -55.43 -45.83 76.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 m -66.29 -37.39 85.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.903 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.1 mt -50.2 -33.19 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 61.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' VAL . 22.9 t -170.0 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 74' ' ' LEU . 20.8 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.535 0.207 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.903 ' HG3' HD21 ' A' ' 74' ' ' LEU . 47.6 ttp -77.35 -23.76 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ALA . 29.1 t -36.68 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 89' ' ' SER . 7.5 t80 -84.14 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASN . 3.7 m-30 50.28 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -38.31 -45.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 87' ' ' PHE . 70.2 p -61.61 -47.71 84.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.535 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 10.7 t-20 -132.91 99.18 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -82.0 -38.73 24.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.632 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 6.4 mm-40 -38.17 -52.34 3.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.96 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 88' ' ' PHE . . . -51.51 -24.66 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.701 HG21 HG13 ' A' ' 11' ' ' ILE . 13.9 mt -75.79 -58.44 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.528 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -56.91 -41.27 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.623 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 9.6 m-30 -62.98 -60.56 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.448 ' SG ' ' NH1' ' A' ' 24' ' ' ARG . 4.8 m -41.5 -57.36 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.885 HG22 HD12 ' A' ' 50' ' ' ILE . 1.6 t -45.89 -44.86 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.537 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 2.6 mm -65.9 -43.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.816 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 8.1 m-85 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 103' ' ' PHE . 1.5 t80 -48.71 -38.82 22.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 100' ' ' VAL . 12.9 mt -68.66 -75.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 4.2 m-85 -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.811 ' ND1' HG21 ' A' ' 31' ' ' THR . 42.6 m170 -56.47 -51.39 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 30.2 p90 -170.49 67.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -135.37 -108.64 0.97 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 51' ' ' ILE . 10.0 m-85 -129.74 -37.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 63' ' ' ILE . 2.5 mt -48.18 149.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.597 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.5 mm -64.73 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 12.7 ptmm? -37.13 -33.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.99 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 125' ' ' THR . . . -54.6 -61.54 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.816 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.6 m-85 -36.46 -43.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.68 -42.86 60.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.47 -29.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.793 ' CD1' HD13 ' A' ' 74' ' ' LEU . 19.1 mt -93.51 -63.48 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.462 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -40.04 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.565 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.7 OUTLIER -88.1 -58.13 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -48.82 -45.76 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.3 tt -56.52 -28.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -74.14 -2.96 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -86.81 -26.1 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -95.88 -24.48 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.852 HD21 HD13 ' A' ' 25' ' ' LEU . 44.8 mt -64.84 -69.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.579 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.4 mm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -59.96 -40.68 89.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.98 -29.59 69.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.857 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.87 -25.33 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.857 HD23 ' HG3' ' A' ' 9' ' ' GLN . 9.1 mt -73.32 -44.93 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.6 mp -60.36 -66.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -36.31 -49.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.931 ' HB3' HG22 ' A' ' 50' ' ' ILE . 1.5 m-85 -57.44 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -42.28 -36.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.0 t-20 -52.54 -36.78 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.8 mt-30 -71.08 -4.94 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -107.68 -77.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -129.54 97.45 4.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.4 p -100.93 -56.97 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' SER . 2.5 p -38.54 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.6 m170 -71.77 -64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -38.62 -45.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -47.87 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 0.6 OUTLIER -50.56 -63.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HA ' HD11 ' A' ' 28' ' ' ILE . 15.7 mt -54.42 -20.2 7.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.17 -28.9 48.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ILE . 72.5 t80 -74.61 -65.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.7 pt -34.85 -36.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -80.17 -59.55 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' THR . 26.0 p -44.26 -54.71 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 106' ' ' HIS . 14.6 m -36.31 -45.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.95 31.53 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 tt0 -169.22 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -112.27 -93.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -169.88 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 38' ' ' SER . 15.2 t -121.02 -156.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 5.1 m-85 -133.39 5.92 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.974 ' O ' HD11 ' A' ' 44' ' ' LEU . 1.1 t -137.44 25.07 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -148.75 18.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 41.9 t -58.46 164.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 28.5 t70 -39.2 -55.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 ' HB1' ' A' ' 17' ' ' ALA . 5.1 p -59.0 132.9 87.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 148.82 35.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.974 HD11 ' O ' ' A' ' 38' ' ' SER . 26.5 mt -82.19 -33.36 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -41.35 -58.28 3.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.03 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.702 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 9.1 mm -46.19 -54.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.83 -24.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -77.28 -42.97 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.931 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -72.46 -29.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.64 HG21 ' CE1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -54.77 -26.62 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.89 -11.64 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 54' ' ' THR . 2.5 tp -63.39 -40.09 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.828 HG23 HG23 ' A' ' 53' ' ' ILE . 11.5 p -105.1 22.85 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -49.88 -52.56 31.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.57 167.95 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -51.02 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' GLN . 26.2 p30 -49.42 -25.62 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.68 -51.71 38.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.02 -45.1 42.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -63.38 -63.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -26.52 16.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.848 ' CG2' HD11 ' A' ' 110' ' ' LEU . 19.2 mt -68.27 -49.67 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.82 -54.51 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -39.01 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.471 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mt -58.11 -45.99 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.546 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -53.95 -47.81 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 64' ' ' THR . 36.4 t -53.29 -50.57 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 59.4 t30 -36.52 -54.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -80.4 -56.59 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.966 HD11 ' CD1' ' A' ' 123' ' ' TYR . 1.4 mm -38.8 -62.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -44.46 -43.08 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ASN . 34.6 m -70.02 -34.58 73.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' CD1' ' A' ' 126' ' ' ILE . 1.4 mt -53.38 -20.24 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.0 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' CD2' ' A' ' 87' ' ' PHE . 82.7 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 18.1 m-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.515 0.198 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 ttp -53.45 -36.37 61.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.956 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -45.01 -45.31 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.38 95.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.915 ' CD2' HG13 ' A' ' 77' ' ' VAL . 2.4 t80 -80.62 50.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 2.2 t80 -140.36 -43.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -51.48 21.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -81.36 -36.78 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 m-20 -108.82 77.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 96' ' ' ILE . 58.6 p -90.65 -51.55 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -47.15 -47.62 55.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.98 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.01 -18.21 22.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 97' ' ' ILE . 2.9 mt -78.26 -66.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -39.55 -42.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 5.4 m-30 -68.96 -45.33 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.501 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.8 t -46.99 -55.06 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -50.33 -52.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.615 HG21 ' OH ' ' A' ' 123' ' ' TYR . 11.8 mm -49.58 -65.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CE2' HG22 ' A' ' 28' ' ' ILE . 8.5 t80 -39.44 -45.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -62.78 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 11.4 mt -39.28 -30.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.906 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.9 m-85 -83.9 -46.32 12.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -39.72 -61.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.648 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 27.0 m-85 -165.84 35.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.86 -106.77 2.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 51' ' ' ILE . 8.7 m-85 -125.03 -34.64 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.906 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.9 mt -48.5 137.59 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.8 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.865 HG22 ' CE2' ' A' ' 123' ' ' TYR . 1.3 mm -60.72 -28.29 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -29.28 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -74.79 -28.75 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.33 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.966 ' CD1' HD11 ' A' ' 71' ' ' ILE . 7.8 m-85 -41.97 -36.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -72.9 -39.7 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.32 -27.09 44.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.86 ' CD1' HD22 ' A' ' 74' ' ' LEU . 9.0 mt -94.01 -59.81 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.432 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.52 -26.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' ALA . 24.8 t0 -86.89 -62.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -48.71 -45.36 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.956 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.1 tt -59.61 -28.0 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -87.01 2.22 50.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -85.22 -46.61 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 1.3 p90 -88.57 3.29 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.6 mt -60.21 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' LYS . 26.6 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -36.92 -51.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.01 -51.55 67.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.49 -39.85 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 HD21 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -64.07 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.541 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -39.56 -61.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.13 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB2' HG22 ' A' ' 50' ' ' ILE . 19.5 m-30 -36.87 -67.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.05 -40.95 24.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.77 -43.93 90.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -85.64 45.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . . . -153.77 -77.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.1 t -106.25 109.85 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.244 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -102.62 -48.81 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' SER . 39.9 p -36.01 154.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.8 m-70 -97.68 -83.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' HIS . 58.0 mt-30 -36.37 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -40.26 -50.18 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 7.3 mtm-85 -44.79 -64.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.713 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.5 mt -48.5 -23.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -82.15 -38.5 24.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' ILE . 7.3 m-30 -59.54 -61.91 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.9 pt -35.08 -35.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' PHE . 5.3 t -90.62 -73.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -37.12 -33.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 106' ' ' HIS . 23.8 m -77.75 47.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 22.69 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 90.0 p -117.55 -101.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' N ' ' OG ' ' A' ' 34' ' ' SER . 1.3 t0 -171.05 -51.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.732 HG23 ' N ' ' A' ' 37' ' ' PHE . 8.3 t -127.04 -145.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.732 ' N ' HG23 ' A' ' 36' ' ' THR . 2.2 m-85 -118.67 -40.66 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.96 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.62 -9.08 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -88.23 -25.18 23.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 88.1 t -67.14 -110.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.896 ' O ' HG12 ' A' ' 42' ' ' VAL . 7.6 t0 -144.26 -156.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 56.01 138.38 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 146.45 32.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.96 HD11 ' HB3' ' A' ' 38' ' ' SER . 19.2 mt -82.9 -14.33 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.84 -58.25 20.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.94 -43.51 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 HG21 ' A' ' 42' ' ' VAL . 11.6 mm -49.22 -48.52 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.96 -21.03 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 5.0 t-20 -79.11 -41.64 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 100' ' ' VAL . 5.3 pt -82.55 1.89 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.866 HD11 ' HA2' ' A' ' 108' ' ' GLY . 1.9 mt -97.05 -21.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -83.92 37.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.468 HD13 HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -116.2 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.831 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.0 p -96.77 -0.72 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -54.09 -52.52 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' GLN . 7.9 m-20 -56.84 168.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -84.34 -51.29 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.7 m-20 -56.77 -31.0 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 14.2 mm-40 -62.54 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -39.51 -43.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.5 -51.04 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.5 mt-10 -56.73 -28.77 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.831 ' CD1' HG22 ' A' ' 54' ' ' THR . 75.1 mt -74.92 -43.54 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -46.83 -59.41 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.457 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -54.88 -55.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -50.48 -42.56 54.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 15.5 t -66.67 -32.83 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.58 -33.02 74.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -89.61 -17.03 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -88.33 -51.63 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 71' ' ' ILE . 24.9 pttt -46.97 -27.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 m -83.82 -36.06 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mt -60.08 -22.22 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -1.2 23.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.7 p -144.24 60.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 74' ' ' LEU . 56.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.18 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.482 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 7.0 tmm? -59.02 -15.91 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -70.0 -53.04 19.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 90' ' ' THR . 0.4 OUTLIER -63.4 -13.18 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -88.97 39.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 1.034 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 8.3 t80 -138.34 -46.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.1 t -61.4 -29.52 69.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 31.3 p -64.06 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 3.4 m120 -119.47 123.89 45.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.944 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -43.87 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -37.17 -53.16 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -74.98 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.034 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -49.53 -25.19 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 92' ' ' SER . 1.1 mp -78.34 -59.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.691 HD12 HG22 ' A' ' 96' ' ' ILE . 1.5 mp -59.52 -26.29 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.805 ' CE2' ' CE1' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -64.43 -60.6 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -40.25 -50.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.761 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.8 mm -61.84 -64.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.809 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -37.02 -59.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.594 ' O ' ' C ' ' A' ' 104' ' ' LEU . 15.7 m-85 -59.04 -62.25 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 103' ' ' PHE . 1.8 mt -23.61 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 110' ' ' LEU . 35.3 m-85 -62.26 -65.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 31' ' ' THR . 40.9 m170 -100.75 49.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.617 ' HE2' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -172.8 -61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.866 ' HA2' HD11 ' A' ' 51' ' ' ILE . . . -84.05 -106.43 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 69.1 m-85 -165.52 67.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.6 mt -100.02 138.5 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.695 HG22 ' CD2' ' A' ' 123' ' ' TYR . 7.1 mm -45.19 -64.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 119' ' ' ILE . 1.6 ttpt -35.44 -40.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -59.13 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -53.53 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.809 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 6.6 m-30 -45.62 -25.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.93 -35.86 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -67.8 -19.52 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.352 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.482 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.2 mt -97.09 -54.28 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.451 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -51.04 -25.91 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 131' ' ' ALA . 15.0 t0 -90.73 -59.33 2.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -50.08 -38.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -66.05 -27.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -83.28 5.62 22.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.73 -25.09 21.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.28 -11.71 19.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 131' ' ' ALA . 8.2 mt -57.11 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -47.69 -44.04 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.24 -47.12 87.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.39 -38.04 40.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.47 -47.03 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.636 HG13 HG21 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.71 -60.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.49 -58.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' ILE . 10.5 m-85 -51.11 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 51.8 t80 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -41.11 -39.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.2 mm-40 -85.31 43.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -153.69 -70.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' CB ' HG23 ' A' ' 42' ' ' VAL . 11.9 t -144.32 92.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.05 -20.28 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 p -43.59 161.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.436 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 12.2 m-70 -100.05 -69.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -42.03 -34.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -49.24 -36.3 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 21' ' ' HIS . 32.6 mtt85 -56.77 -47.26 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.8 mt -64.7 -28.61 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -15.05 40.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 1.4 t80 -83.23 -58.89 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.633 ' HB ' ' HB1' ' A' ' 127' ' ' ALA . 0.7 OUTLIER -39.84 -29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 27' ' ' PHE . 34.7 t -85.59 -70.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -42.05 -43.76 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.591 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 21.0 m -48.38 -38.84 20.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -95.75 24.82 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' SER . 20.2 mm-40 -144.65 56.98 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -170.09 90.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -24.14 66.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.533 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 1.1 t -89.04 -23.04 22.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 36' ' ' THR . 2.8 m-85 76.51 -47.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.645 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -58.08 -16.46 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -25.72 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.612 HG21 ' CE1' ' A' ' 107' ' ' PHE . 74.7 t -55.33 153.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 4.7 t70 -59.57 -165.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 41' ' ' ASP . 5.3 p 55.28 141.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 149.41 36.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 38' ' ' SER . 38.0 mt -82.21 -41.23 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 mt-10 -35.04 -56.63 0.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.97 -51.54 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 20.5 mm -49.49 -37.22 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.7 mtmt -60.57 -16.0 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.3 t-20 -87.79 -40.12 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.962 HD12 HG22 ' A' ' 100' ' ' VAL . 3.3 pt -80.45 -0.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.7 mt -89.12 -23.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -12.46 60.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.2 tp -58.07 -35.29 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 63' ' ' ILE . 7.1 p -100.51 20.57 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -67.7 -47.74 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -76.55 154.82 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.1 pm0 -75.13 -27.24 59.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -72.4 -15.88 61.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.08 -58.05 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 14.3 pt20 -47.73 -42.56 25.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 57' ' ' GLU . 19.0 mt -59.7 -75.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -41.32 -30.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 101' ' ' ILE . 41.5 mt -72.19 -49.42 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -44.12 -62.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -43.76 88.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -52.24 -47.64 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.14 -43.48 78.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 64' ' ' THR . 17.8 t -68.87 -39.26 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -41.57 -31.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -99.62 -48.86 4.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -46.72 -49.32 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -56.54 -33.73 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -80.17 -32.93 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.755 HD23 HG21 ' A' ' 77' ' ' VAL . 2.6 mt -59.31 -16.92 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 37.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.17 31.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.755 HG21 HD23 ' A' ' 74' ' ' LEU . 42.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 133' ' ' TYR . 13.2 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.567 0.222 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 126' ' ' ILE . 2.3 ttt -38.37 -33.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -44.18 -41.78 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -59.41 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -75.0 54.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.5 m-85 -155.06 -45.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 29.8 p -62.58 -62.41 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.437 ' N ' ' OG1' ' A' ' 90' ' ' THR . 2.7 m120 -94.23 99.36 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' HD12 ' A' ' 96' ' ' ILE . 39.2 p -85.74 -41.03 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -44.16 -55.83 8.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.25 -20.37 6.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 11' ' ' ILE . 4.4 mt -78.93 -63.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.483 HD11 HD12 ' A' ' 11' ' ' ILE . 1.2 mp -46.08 -42.03 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -64.13 -42.67 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.422 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 44.0 t -49.19 -38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.962 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -67.84 -44.73 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.742 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.7 mm -58.84 -55.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -48.72 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.78 -40.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.73 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.801 ' CE2' HD13 ' A' ' 110' ' ' LEU . 12.1 m-85 -50.24 -59.71 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 5.9 m-70 -40.11 -64.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 40' ' ' VAL . 5.0 m-30 -50.97 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.69 59.18 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -127.06 -52.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.801 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.4 mt -62.76 144.38 56.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 23.8 mm -40.24 -52.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -45.79 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.7 tmtt? -53.56 -54.17 41.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 125' ' ' THR . . . -64.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.9 m-85 -39.94 -39.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -39.21 47.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -49.55 -29.65 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 74' ' ' LEU . 13.8 mt -89.91 -64.13 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -40.6 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 25.8 t70 -86.17 -51.32 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 7.9 m-20 -55.87 -47.55 77.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 5.4 tt -58.39 -40.04 76.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.53 -7.59 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 5.6 t70 -79.31 -19.41 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -104.47 -41.06 5.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 25' ' ' LEU . 65.1 mt -48.28 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.964 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' GLN . 36.0 mm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.14 -41.99 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -43.17 98.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -59.0 -33.32 70.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.08 -44.81 83.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.619 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -57.44 -69.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 11' ' ' ILE . 2.3 m -39.25 -58.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.699 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -45.82 -89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -41.48 -44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 16.8 t-20 -48.62 -41.1 29.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 mm-40 -85.17 46.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -152.52 -70.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' SER . 25.3 p -63.65 -141.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.428 ' CA ' ' HB2' ' A' ' 23' ' ' GLU . 3.5 m -164.65 71.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.8 p 47.99 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 89' ' ' SER . 6.9 m80 -42.37 -51.92 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' HIS . 19.6 mt-30 -34.17 -50.69 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -46.53 -55.8 6.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -60.77 -25.05 66.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 m-20 -88.91 -10.39 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.578 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 40.8 t80 -89.33 -57.72 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -40.66 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ARG . 42.5 t -85.64 -70.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -42.67 -57.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.578 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 87.7 m -49.47 -32.1 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 tpt180 -83.0 -24.15 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 3.7 pt-20 -116.11 42.89 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -155.17 84.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.63 -34.85 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -88.9 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.743 ' N ' HG23 ' A' ' 36' ' ' THR . 11.3 m-85 -120.26 -39.53 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.746 ' CA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.79 -11.56 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 36' ' ' THR . 33.3 m -78.68 -34.11 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 85.8 t -57.85 148.54 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -54.3 48.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 40' ' ' VAL . 8.3 p -46.37 138.44 6.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.03 143.01 28.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' CA ' ' A' ' 38' ' ' SER . 8.8 mt -81.72 -10.78 59.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.0 mm-40 -62.44 -60.2 10.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -41.16 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.678 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 16.7 mm -52.72 -40.21 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -63.11 -12.79 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.05 -32.58 16.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.786 HD12 HG22 ' A' ' 100' ' ' VAL . 5.1 pt -88.48 -12.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.0 mt -73.38 -24.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 42.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -113.4 -37.7 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.624 HG21 HD13 ' A' ' 104' ' ' LEU . 7.3 p -92.44 21.05 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -66.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -52.04 139.05 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -64.3 -27.36 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -70.25 -34.53 72.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -67.98 -49.3 62.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' THR . 12.2 mt-30 -55.19 -41.7 72.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -66.68 -54.77 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.8 tp10 -60.01 -27.27 66.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.841 HG21 HD11 ' A' ' 110' ' ' LEU . 17.0 mt -73.04 -47.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -46.98 -57.91 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.09 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.9 mt -45.37 -44.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 71' ' ' ILE . . . -59.34 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.775 HG22 HD11 ' A' ' 119' ' ' ILE . 17.9 t -63.64 -30.24 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.23 -35.26 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.83 -27.33 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.588 ' CG1' ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -76.45 -49.66 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -46.04 -31.33 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.5 m -77.13 -37.21 54.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 126' ' ' ILE . 6.4 mt -59.16 -16.57 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -83.0 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.75 -73.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' A' ' 87' ' ' PHE . 2.4 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.491 0.186 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' PHE . 16.3 mmt -55.79 -36.0 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -49.12 -41.52 36.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -24.65 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CD1' HG13 ' A' ' 77' ' ' VAL . 18.9 t80 -89.95 52.03 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CE1' ' NH2' ' A' ' 24' ' ' ARG . 91.4 m-85 -157.88 -40.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.588 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 30.8 t -46.7 -54.27 9.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.2 p -72.63 -53.97 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.51 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.2 t-20 -83.34 89.6 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.913 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -88.84 -48.24 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.686 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.3 mt-10 -38.98 -51.48 4.02 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.686 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.0 -48.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.79 -43.54 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 92' ' ' SER . 1.5 mp -59.76 -56.48 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -60.41 -64.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.0 t80 -41.46 -42.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.32 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.786 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -48.18 -41.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.751 HD12 HG23 ' A' ' 63' ' ' ILE . 17.8 mm -56.63 -52.52 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 88.9 t80 -61.36 -58.49 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.678 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -38.98 -51.04 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 54' ' ' THR . 7.5 mt -61.89 -69.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.8 m-85 -39.48 -57.63 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.641 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -50.86 -59.72 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 40' ' ' VAL . 3.2 m-85 -55.55 -61.77 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.49 66.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -134.66 -53.71 0.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.74 132.05 52.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.567 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.775 HD11 HG22 ' A' ' 68' ' ' VAL . 6.3 mm -58.34 -64.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' N ' ' C ' ' A' ' 119' ' ' ILE . 35.8 tptt -72.68 -65.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.93 -64.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.653 ' CD1' HG22 ' A' ' 119' ' ' ILE . 4.9 m-85 -38.68 -49.46 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -69.86 -36.0 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.84 -27.52 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 74' ' ' LEU . 7.8 mt -91.88 -60.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -38.18 -31.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.5 t0 -87.74 -63.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 23.2 m-20 -44.9 -48.28 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.05 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -54.79 -37.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -71.95 -5.35 34.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 3.5 t70 -82.82 -28.37 30.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -92.85 -35.42 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 131' ' ' ALA . 41.3 mt -53.31 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 45.6 mm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.591 ' HE3' HD13 ' A' ' 97' ' ' ILE . 1.9 tptt -38.58 -48.88 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -52.7 -55.98 18.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.57 -48.63 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.859 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 25.3 mt -46.55 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.794 HG13 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -27.27 -57.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -33.09 -56.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.034 ' O ' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -56.53 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 2.6 t80 19.11 -63.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 1.034 ' N ' ' O ' ' A' ' 13' ' ' PHE . 10.4 t30 -46.96 -37.46 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 12' ' ' SER . 5.7 mm-40 -74.16 -30.31 62.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -66.04 -71.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.29 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.313 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -87.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 p -55.67 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -89.27 -49.07 6.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -49.35 -23.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.81 -40.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 88' ' ' PHE . 1.3 mpp_? -57.66 -62.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.618 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.9 mt -54.34 -20.75 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -30.11 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.968 ' CE1' HG11 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -69.31 -68.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' CG2' ' A' ' 130' ' ' ILE . 3.4 pt -35.19 -35.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' PHE . 15.5 t -84.99 -60.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -44.94 -45.17 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.656 HG23 ' HE1' ' A' ' 107' ' ' PHE . 23.4 m -51.77 -34.27 38.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -93.44 10.39 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -143.07 56.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m -170.28 90.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -24.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -115.62 -167.37 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.792 ' CD1' ' CE2' ' A' ' 107' ' ' PHE . 9.1 m-85 -113.77 -20.46 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -2.53 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -91.44 -40.34 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.968 HG11 ' CE1' ' A' ' 27' ' ' PHE . 58.0 t -51.29 146.32 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -71.86 70.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 ' HD2' ' A' ' 43' ' ' PRO . 3.3 p -175.12 141.53 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 150.67 38.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 18.3 mt -81.87 -41.15 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -35.0 -57.59 0.79 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.02 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 50' ' ' ILE . 15.3 mm -44.65 -55.66 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 7.4 mttp -46.58 -26.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.9 t-20 -75.4 -40.5 57.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -76.64 -2.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.7 mt -93.72 -25.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.4 29.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.0 OUTLIER -99.58 -34.14 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.423 HG22 HD13 ' A' ' 63' ' ' ILE . 4.3 p -97.5 22.81 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 14.6 pttt -62.71 -55.5 26.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 78.2 m-20 -66.59 158.84 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 61' ' ' ILE . 5.1 pm0 -83.89 -26.35 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -72.31 -13.4 61.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -53.02 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -52.82 -36.96 59.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.9 mt -64.64 -65.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 12.8 mt-10 -56.82 -25.41 55.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.751 HG21 HD21 ' A' ' 110' ' ' LEU . 9.3 mt -71.54 -48.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -59.4 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.11 92.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 9.2 mt -57.15 -39.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -61.25 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 71' ' ' ILE . 54.9 t -62.75 -32.53 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -50.68 -22.51 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.2 m-80 -97.36 -39.75 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -63.14 -51.93 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.77 -40.81 66.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -74.43 -33.07 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 77' ' ' VAL . 4.0 mt -61.97 -14.21 32.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -89.84 37.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 t -169.23 32.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.743 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 53.8 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.489 0.185 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 74' ' ' LEU . 1.2 ttt -51.99 -20.47 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -64.68 -44.5 90.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -43.49 95.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 91' ' ' ASN . 4.5 t80 -71.07 -16.82 62.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -61.99 -29.62 70.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.4 t -73.93 -56.41 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 p -67.25 -34.54 77.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.449 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 2.1 m-80 -125.08 70.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 96' ' ' ILE . 79.1 p -82.93 -31.35 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -46.54 -57.91 7.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.1 Cg_endo -75.03 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.593 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . . . -58.7 -18.43 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.794 HG21 HG13 ' A' ' 11' ' ' ILE . 6.3 mt -81.67 -66.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.591 HD13 ' HE3' ' A' ' 7' ' ' LYS . 1.5 mp -46.17 -46.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 3.3 t80 -58.7 -49.82 76.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . 11.4 t -41.62 -43.24 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 t -73.84 -53.2 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.66 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -45.37 -38.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 28' ' ' ILE . 42.1 t80 -68.58 -70.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.61 ' CE2' ' CE2' ' A' ' 107' ' ' PHE . 2.9 t80 -35.96 -44.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLY . 51.4 mt -58.56 -67.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 7.8 m-85 -44.96 -58.63 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.56 ' ND1' HG22 ' A' ' 31' ' ' THR . 37.6 t-80 -45.78 -51.03 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.659 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 4.3 m-85 -69.28 -22.67 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 87.3 68.46 1.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -124.29 -53.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 63' ' ' ILE . 1.7 mt -61.31 153.48 26.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.437 ' N ' HG23 ' A' ' 118' ' ' ILE . 10.8 mm -42.31 -66.65 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -40.49 -50.12 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -53.03 -52.79 57.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 125' ' ' THR . . . -63.33 -64.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.781 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 4.1 m-85 -44.69 -30.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -79.71 -36.5 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -60.38 -24.84 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 74' ' ' LEU . 5.2 mt -95.38 -58.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 102' ' ' TYR . . . -43.68 -27.69 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 33.9 t70 -89.72 -58.3 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 31.0 t30 -49.33 -45.76 45.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.5 tt -56.16 -25.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -82.54 6.01 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 19.2 t0 -74.81 -35.74 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 1.1 p90 -103.83 7.82 37.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 134' ' ' LEU . 3.6 mt -64.29 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.459 0.171 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -175.75 177.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.03 158.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 2' ' ' GLU . 9.5 p30 174.61 169.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' ILE . 12.8 p-10 177.36 -151.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' LYS . 44.4 mm -37.28 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 11' ' ' ILE . 5.3 tptt -37.19 -55.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 4' ' ' ASN . 2.5 tm-20 -56.23 -50.75 70.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.7 mt-30 -46.76 -39.72 12.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD12 HG13 ' A' ' 97' ' ' ILE . 9.5 mt -67.93 -58.3 4.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.819 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -47.59 -63.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -37.24 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 22.7 m-30 -40.67 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -44.22 -52.72 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.71 -30.61 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -90.44 31.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -135.54 -72.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.48 -164.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.95 -89.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -79.73 -168.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' N ' ' A' ' 23' ' ' GLU . 72.8 m-70 -90.05 -58.07 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.579 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' GLU . 20.5 mt-30 -41.51 -27.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER -37.1 -51.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' PHE . 72.0 mtt85 -45.88 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.4 mt -50.54 -22.64 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.5 OUTLIER -83.4 -34.65 25.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ILE . 9.8 m-30 -65.17 -61.16 2.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.0 pt -32.72 -40.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' SER . 8.7 t -90.96 -71.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.491 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 20.8 t -35.1 -48.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.518 HG23 ' CE1' ' A' ' 107' ' ' PHE . 23.6 m -53.78 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.11 46.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -171.26 38.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -116.43 -107.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -171.1 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 38' ' ' SER . 9.0 t -104.03 -18.98 14.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 21.2 m-85 62.75 11.83 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 36' ' ' THR . 1.3 t -122.78 -1.55 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -104.73 -0.03 27.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 41' ' ' ASP . 49.3 t -43.54 165.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 40' ' ' VAL . 11.6 t0 -69.54 64.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.8 p -168.92 140.45 2.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.06 -21.75 36.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -51.85 -57.98 12.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.06 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.709 HG22 ' CD1' ' A' ' 51' ' ' ILE . 11.8 mm -50.51 -34.17 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -27.87 66.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' PRO . 13.2 m120 -77.22 -37.77 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 100' ' ' VAL . 1.2 pt -83.59 0.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.709 ' CD1' HG22 ' A' ' 47' ' ' ILE . 13.0 mt -101.72 -33.83 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 3.7 mt-10 -88.05 42.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG23 HG22 ' A' ' 54' ' ' THR . 1.1 tp -115.51 -35.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.562 ' CG2' HD13 ' A' ' 63' ' ' ILE . 3.0 p -96.53 23.86 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -92.92 30.89 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.7 m-20 -138.37 146.65 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.4 mt-10 -52.13 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' GLU . 36.5 m-20 -37.08 -37.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 13.0 mm-40 -59.53 -62.25 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -46.39 -45.05 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 3.2 mt -63.89 -71.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.38 -30.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.725 HG23 ' CD1' ' A' ' 101' ' ' ILE . 62.1 mt -73.7 -49.38 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -43.87 -63.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.372 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -42.2 79.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -46.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.8 -44.42 96.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 64' ' ' THR . 46.7 t -62.94 -40.87 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -43.55 -27.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 51.4 t30 -91.37 -45.93 8.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -58.05 -50.96 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.72 -25.67 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -90.12 -32.4 16.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.66 -9.3 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 41.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.065 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -169.56 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 84' ' ' MET . 7.0 t 39.56 80.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.48 -162.8 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 -52.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 t -94.04 47.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.63 167.96 24.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.17 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.11 -62.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.606 ' CZ ' ' CD1' ' A' ' 133' ' ' TYR . 15.2 m-30 -93.65 141.72 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 77' ' ' VAL . 31.7 mmt -76.82 -24.27 52.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.06 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -55.64 -45.71 77.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -48.05 -25.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 26.2 t80 -90.09 48.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 97.7 m-85 -163.5 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -50.97 -33.37 24.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.9 p -68.52 -68.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 73.0 m-80 -97.64 110.57 23.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.86 -43.17 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 1.8 mt-10 -39.28 -55.11 3.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.457 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.96 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -51.83 -23.53 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.819 HG21 HG13 ' A' ' 11' ' ' ILE . 4.1 mt -77.5 -69.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -40.55 -42.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' ASN . 18.6 m-85 -64.0 -54.76 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.24 -42.85 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.86 HG22 HD12 ' A' ' 50' ' ' ILE . 2.3 t -57.33 -47.19 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.725 ' CD1' HG23 ' A' ' 63' ' ' ILE . 13.4 mm -54.31 -61.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 45.3 m-85 -43.64 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -35.52 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 51' ' ' ILE . 68.7 mt -42.49 -61.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 9.7 m-85 -53.88 -39.96 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.507 ' HB3' HG22 ' A' ' 31' ' ' THR . 72.3 m-70 -60.34 -26.24 66.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 17.9 m-30 -107.65 12.14 27.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.75 64.91 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.84 -54.67 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 63' ' ' ILE . 1.3 mt -58.83 154.16 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.11 150.55 42.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.69 104.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 114' ' ' ASN . 3.5 m120 -69.53 110.43 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER 162.27 112.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 179.67 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -178.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.15 129.79 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.76 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.0 OUTLIER -132.41 -156.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.76 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.3 mm -62.24 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 121' ' ' LYS . 2.7 pttt -41.23 -29.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 119' ' ' ILE . 20.9 tptt -71.53 -57.32 4.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 125' ' ' THR . . . -62.36 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.4 m-85 -40.7 -40.03 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.24 67.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -57.14 -27.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 130' ' ' ILE . 4.1 mt -94.6 -58.08 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.435 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.02 -27.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.2 t70 -90.17 -62.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -47.38 -43.42 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.06 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -59.77 -32.96 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -77.31 -0.34 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -86.38 -21.25 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.606 ' CD1' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -102.34 -23.57 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 57.6 mt -56.38 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 174.63 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 47.95 44.27 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB2' HD13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.494 0.188 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 174.2 141.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 175.65 127.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.4 m-80 62.54 137.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -53.07 -46.58 68.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -56.91 -81.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.649 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.89 -34.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 1.1 tt0 -64.48 -52.11 59.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.722 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.79 -23.16 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD23 ' HG3' ' A' ' 9' ' ' GLN . 5.2 mt -75.67 -49.02 19.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.649 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.1 mp -53.24 -64.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 11' ' ' ILE . 36.8 m -42.46 -56.8 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.4 m-30 -48.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CD2' HG23 ' A' ' 100' ' ' VAL . 28.1 t80 -43.8 -41.08 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 24.1 t30 -53.44 -36.03 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' PHE . 3.6 mt-30 -77.18 0.65 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' PHE . . . -98.95 -73.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -59.83 -158.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.04 -84.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -96.65 -166.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.476 ' CD2' ' CZ ' ' A' ' 88' ' ' PHE . 5.6 m80 -79.61 -56.8 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -39.3 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 4.1 mm-40 -45.12 -43.14 9.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 19.2 mtt85 -53.08 -49.54 66.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.7 mt -71.44 -17.6 62.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -90.62 -9.19 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 8.8 m-30 -90.22 -57.69 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.04 -29.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 27' ' ' PHE . 21.1 p -90.24 -45.46 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' PHE . 31.9 t -56.64 -42.66 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.485 HG22 ' CD2' ' A' ' 106' ' ' HIS . 8.3 m -62.08 -27.23 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' A' ' 128' ' ' ASP . 0.0 OUTLIER -118.41 44.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -170.89 31.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 p -128.81 -107.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -171.03 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.714 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.4 t -122.78 -143.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.714 ' N ' HG23 ' A' ' 36' ' ' THR . 0.7 OUTLIER -108.33 -37.67 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.777 ' HA ' HD11 ' A' ' 44' ' ' LEU . 28.1 t -72.08 -4.82 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -89.31 -36.33 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 42' ' ' VAL . 77.2 t -52.47 156.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.06 -63.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 40' ' ' VAL . 9.3 p -39.27 135.47 1.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.0 Cg_endo -75.06 147.59 33.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 38' ' ' SER . 47.4 mt -82.06 -23.94 35.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.5 mt-10 -49.3 -57.63 11.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 51' ' ' ILE . 26.4 mm -52.23 -36.09 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.8 mttp -64.61 -12.4 45.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -90.25 -35.8 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 100' ' ' VAL . 7.2 pt -82.77 -34.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.696 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 50.0 mt -53.85 -30.54 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.24 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -111.14 -29.51 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.637 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -102.87 23.94 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -69.19 -59.4 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.91 144.92 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.842 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.6 pm0 -68.7 -29.18 67.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 2.1 m-20 -72.66 -27.41 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.0 -34.97 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 57' ' ' GLU . 15.8 mt -68.51 -65.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 mt-10 -51.75 -31.43 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.865 HG21 HD21 ' A' ' 110' ' ' LEU . 8.8 mt -65.52 -56.21 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -41.08 -54.57 2.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 64' ' ' THR . 4.3 mttt -63.82 -48.17 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.1 mt -49.32 -47.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -54.53 -44.99 73.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 119' ' ' ILE . 16.0 t -66.68 -49.75 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 38.4 t30 -39.16 -45.19 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' THR . 41.8 t30 -80.81 -57.42 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -42.25 -57.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.0 -38.55 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ASN . 20.0 m -71.29 -33.78 70.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -60.45 -15.32 25.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.9 48.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.54 -61.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.54 HG13 ' CG ' ' A' ' 87' ' ' PHE . 3.4 t 40.23 87.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.38 106.52 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -174.87 -73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.8 t -139.25 140.53 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 48.77 -170.45 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -143.32 39.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ALA . 64.4 m-85 -98.83 9.46 43.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 9.3 mmt 67.67 -63.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' A' ' 130' ' ' ILE . . . -45.04 -46.72 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -42.88 -49.9 5.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CG ' HG13 ' A' ' 77' ' ' VAL . 2.8 t80 -36.54 -38.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 8.0 t80 -40.75 -53.87 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -40.54 -38.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 p -94.43 -50.94 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.418 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 2.1 m-20 -114.19 76.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 86.6 p -89.5 -47.41 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.6 mt-10 -40.6 -50.72 6.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.04 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.26 -27.54 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 92' ' ' SER . 2.3 mt -73.72 -56.92 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 96' ' ' ILE . 1.1 mp -52.95 -38.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.77 ' CD1' ' CD1' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -57.73 -57.16 13.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 103' ' ' PHE . 6.8 t -47.01 -47.39 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 108.341 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -66.22 -43.33 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -58.57 -71.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.624 ' HH ' ' CD2' ' A' ' 106' ' ' HIS . 14.0 t80 -47.27 -51.39 19.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.795 ' CE2' ' CZ ' ' A' ' 107' ' ' PHE . 9.7 t80 -45.79 -41.35 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.35 -48.18 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.651 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.4 m-85 -60.1 -37.78 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.624 ' CD2' ' HH ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -70.98 -39.21 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.795 ' CZ ' ' CE2' ' A' ' 103' ' ' PHE . 3.9 m-85 -77.11 -22.28 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 109' ' ' PHE . . . 89.66 90.8 1.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.696 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 28.2 m-85 -159.55 -63.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -51.14 146.71 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 143.55 49.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.89 107.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -46.5 163.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -47.51 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 174.78 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' LYS . 2.5 pttt 47.29 42.83 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.535 ' O ' ' C ' ' A' ' 118' ' ' ILE . 5.1 mt-30 -133.6 -108.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER 29.81 -97.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.774 HD11 HG22 ' A' ' 68' ' ' VAL . 4.6 mm -63.83 -67.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -39.54 -55.35 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 117' ' ' GLN . 1.9 tmtt? -45.97 -45.87 15.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.799 ' O ' HG22 ' A' ' 125' ' ' THR . . . -61.97 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 98' ' ' PHE . 9.6 m-85 -45.85 -32.71 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.5 -33.97 62.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.8 t -64.63 -25.74 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.782 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.0 mt -95.89 -54.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -50.64 -25.05 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.6 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 48.1 t0 -90.47 -60.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 132' ' ' ASP . 15.8 t30 -50.04 -48.13 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.02 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 8.4 tt -55.28 -19.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.39 10.97 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 129' ' ' ASN . 59.4 t0 -87.83 -44.58 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.3 OUTLIER -87.1 -30.91 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 131' ' ' ALA . 25.6 mt -45.78 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 55.93 68.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 45.12 72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.503 0.192 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 176.59 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -141.31 67.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.5 t-20 -126.68 -68.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 2.7 m-20 156.11 -82.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.39 -53.22 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -54.64 -50.18 68.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.35 -42.35 91.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.0 mt-30 -51.7 -38.92 57.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 10' ' ' LEU . 1.7 mt -64.71 -56.8 11.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG21 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -40.03 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.637 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -36.76 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 12.7 m-85 -39.32 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD2' HG23 ' A' ' 96' ' ' ILE . 49.9 t80 -43.1 -43.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -38.25 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.5 mt-30 -74.3 -1.87 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -111.47 -88.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' ' CE2' ' A' ' 27' ' ' PHE . 6.6 t -112.83 92.16 3.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -92.96 -56.41 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' SER . 3.0 p -37.17 155.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' ARG . 55.2 m80 -93.1 -58.67 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -40.2 -51.21 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.02 -41.48 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -52.26 -45.64 65.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HB1' ' A' ' 85' ' ' ALA . 8.1 mt -64.39 -29.96 71.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -15.9 44.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.458 ' C ' ' N ' ' A' ' 29' ' ' CYS . 3.3 m-85 -82.89 -60.68 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.75 HD12 HG21 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' N ' ' C ' ' A' ' 27' ' ' PHE . 7.4 t -90.61 -57.95 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -50.39 -57.77 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 29.0 m -51.34 -19.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 31.85 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.02 32.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -103.9 -100.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -170.31 -54.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 13.9 t -115.88 -20.39 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.955 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-85 77.28 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.905 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.89 -3.63 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.951 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -132.76 44.77 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 37' ' ' PHE . 58.9 t -80.25 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.613 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.8 t70 -114.64 -35.7 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 7.9 p -67.49 141.27 95.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 142.95 28.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.905 HD21 ' O ' ' A' ' 38' ' ' SER . 61.9 mt -81.49 -25.51 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mt-10 -48.42 -58.69 7.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.544 HG22 ' CD1' ' A' ' 51' ' ' ILE . 18.3 mm -51.85 -37.18 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.85 -16.63 51.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -35.21 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 100' ' ' VAL . 3.1 pt -89.68 -9.25 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CD1' HG22 ' A' ' 47' ' ' ILE . 7.2 mt -78.03 -30.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.21 46.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.04 -38.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -91.82 22.86 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -92.02 26.6 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -144.81 119.46 9.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.897 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -44.56 -33.74 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -70.09 -43.3 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mm-40 -62.08 -63.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 15.2 pt20 -42.5 -42.55 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.2 mt -59.21 -65.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -52.04 -39.05 59.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.824 HG23 HD12 ' A' ' 101' ' ' ILE . 17.6 mt -56.73 -48.36 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -51.83 -59.69 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.82 -35.41 76.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.5 -47.96 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.17 -45.01 84.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.924 HG22 HD11 ' A' ' 119' ' ' ILE . 25.1 t -59.66 -48.54 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -42.64 -31.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.74 -45.95 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.688 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -57.47 -50.25 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -49.41 -27.04 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 75' ' ' SER . 20.8 m -86.79 -45.94 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.891 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -47.98 -24.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' THR . 28.1 p -71.95 59.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -169.13 -40.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 74' ' ' LEU . 49.5 t -39.11 117.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.15 122.46 1.91 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.28 74.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 t -113.86 139.99 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.93 120.49 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.28 72.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CD2' ' CD2' ' A' ' 133' ' ' TYR . 39.5 m-85 -63.26 177.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.62 ' HE2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.32 -31.91 55.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.001 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.66 -47.18 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.8 m -69.09 -25.91 64.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.44 38.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.886 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.2 m-85 -136.78 -51.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -47.96 -30.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.3 p -69.52 -69.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 1.8 p30 -98.75 97.08 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -83.27 -32.84 26.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 2.6 mt-10 -44.64 -56.78 7.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.01 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -52.22 -25.34 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.763 HG21 HG13 ' A' ' 11' ' ' ILE . 6.2 mt -75.9 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -57.63 -52.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 2.9 t80 -53.3 -44.64 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.454 ' HG ' ' HD2' ' A' ' 103' ' ' PHE . 45.6 t -56.38 -50.7 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -51.31 -46.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.824 HD12 HG23 ' A' ' 63' ' ' ILE . 26.0 mm -52.16 -60.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -56.25 -61.58 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.568 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.11 -36.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.53 -68.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.2 m-85 -38.2 -38.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 2.7 m80 -70.33 -51.95 26.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.65 -37.83 87.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.33 81.44 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 26.1 m-85 -148.55 -61.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mt -58.13 146.93 31.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 140.73 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -139.28 76.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.3 -166.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -96.28 68.47 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -161.74 159.16 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 79.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -163.7 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -127.16 -95.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.924 HD11 HG22 ' A' ' 68' ' ' VAL . 6.7 mm -63.14 -65.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -44.25 -30.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -51.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.67 ' O ' HG22 ' A' ' 125' ' ' THR . . . -72.03 -63.12 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.688 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.6 m-85 -39.89 -38.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.3 tp10 -76.9 -39.29 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.03 -25.2 7.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.891 HD12 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -93.42 -63.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.09 -28.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 9.7 t70 -90.41 -60.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 125' ' ' THR . 14.7 t30 -47.72 -45.16 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.001 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt -58.11 -30.94 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.96 2.99 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 25.1 t0 -86.13 -30.99 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.73 -3.71 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 134' ' ' LEU . 5.2 mt -57.72 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 63.72 48.81 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.31 69.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptt? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.476 0.179 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 175.08 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -95.97 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 66.77 -172.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -106.93 -57.81 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 15.6 mm -59.12 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.13 -46.2 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.25 -50.84 68.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.4 mt-30 -46.5 -39.89 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -51.39 62.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -53.3 -60.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.25 -49.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 15.0 m-85 -67.36 -80.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -39.17 -33.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 15.4 t-20 -59.66 -49.46 77.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' PHE . 12.0 pt20 -84.13 45.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -143.94 -73.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.557 ' CB ' HG23 ' A' ' 42' ' ' VAL . 48.6 t -163.63 97.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -111.24 -65.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.455 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . 46.6 p 37.38 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.03 -73.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -33.27 57.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 20' ' ' THR . 6.3 tp10 -52.3 -25.26 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -72.98 -40.01 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 134' ' ' LEU . 11.2 mt -57.81 -35.21 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -10.95 59.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 1.1 t80 -85.96 -58.04 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -33.28 -36.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' PHE . 2.0 t -82.84 -56.46 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 108.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -44.12 -57.14 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 39.8 m -42.16 -50.1 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -90.27 35.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.0 tp10 -170.51 72.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -150.02 -102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.58 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' H ' ' A' ' 38' ' ' SER . 8.9 t -113.04 -19.98 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 1.5 m-85 63.94 9.88 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' THR . 0.5 OUTLIER -118.31 -3.51 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -117.96 15.93 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.8 t -57.09 -107.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.661 ' N ' HG12 ' A' ' 40' ' ' VAL . 6.2 t0 -121.74 -62.41 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 18' ' ' CYS . 4.3 p -42.31 136.91 2.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.05 144.69 30.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 73.6 mt -81.4 -20.64 40.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -52.67 -58.99 9.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.04 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.806 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 51' ' ' ILE . 33.8 mm -52.44 -36.44 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 12.7 mtpp -63.41 -15.89 58.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -35.26 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.78 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -85.61 -9.63 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 8.6 mt -80.03 -23.83 11.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.62 39.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -107.71 -30.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.6 p -100.6 20.13 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -55.18 -51.51 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.1 152.48 39.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.33 -26.01 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 m-20 -69.48 -40.85 76.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -45.46 93.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.95 -59.58 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.13 -29.26 65.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.826 HG21 HD21 ' A' ' 110' ' ' LEU . 6.4 mt -66.83 -47.02 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -51.53 -57.4 9.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -62.53 -40.31 96.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.7 mt -56.69 -43.47 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 123' ' ' TYR . . . -57.95 -44.22 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 72' ' ' LYS . 39.0 t -63.02 -40.03 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.7 t-20 -38.5 -31.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' VAL . 3.1 t-20 -93.69 -62.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -40.16 -41.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.585 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -56.01 -51.6 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ASN . 22.8 m -73.78 -32.93 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.564 HD23 ' CG2' ' A' ' 77' ' ' VAL . 1.1 mt -59.75 -15.64 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -84.1 47.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -169.98 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.564 ' CG2' HD23 ' A' ' 74' ' ' LEU . 16.3 t 39.28 66.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.76 -140.88 22.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.5 -49.69 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.5 p -95.97 162.84 13.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.06 -164.11 1.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -174.31 45.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -80.09 86.36 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.54 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 11.7 tmm? -54.61 -17.34 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.961 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -66.96 -45.3 78.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -52.51 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.89 -22.9 50.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 1.01 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 17.1 t80 -86.51 -16.04 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -49.83 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.5 p -69.24 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.0 m120 -79.16 98.71 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.884 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -88.1 -37.48 16.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 2.0 mt-10 -46.75 -50.55 42.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.01 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -50.62 -34.23 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 92' ' ' SER . 1.8 mt -66.61 -59.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -51.93 -50.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.44 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.46 -56.7 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.78 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -47.37 -41.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 HG23 ' A' ' 63' ' ' ILE . 5.5 mm -70.39 -45.78 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -59.84 -54.22 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.803 ' CE2' ' CE1' ' A' ' 27' ' ' PHE . 1.7 m-85 -49.76 -46.79 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' TYR . 45.6 mt -56.06 -74.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.62 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 10.3 m-85 -36.86 -64.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.591 ' CE1' ' HG2' ' A' ' 124' ' ' GLU . 11.2 m-70 -44.44 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 4.1 m-30 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . 126.78 97.68 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 46.1 m-85 -162.12 -63.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.826 HD21 HG21 ' A' ' 63' ' ' ILE . 2.3 mt -53.16 157.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -94.95 125.41 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.428 ' OD1' HG22 ' A' ' 118' ' ' ILE . 29.9 t0 -164.03 77.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -122.79 109.73 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -150.43 171.92 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -43.03 -56.7 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.3 154.18 39.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -55.16 159.57 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.658 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.6 OUTLIER -126.01 -98.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.658 ' H ' HG23 ' A' ' 118' ' ' ILE . 5.3 mm -62.53 -58.92 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -43.06 -31.32 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -58.02 6.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.83 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.603 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.4 m-85 -37.52 -34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.591 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 89.7 mt-10 -85.58 -42.71 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.27 -21.73 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.709 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.6 mt -95.57 -62.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.493 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -39.76 -29.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.8 t0 -90.21 -63.84 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 36.6 m-20 -43.81 -43.56 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.0 tt -57.4 -41.63 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -65.69 -10.57 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 23.0 t0 -75.1 -44.76 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.536 ' N ' ' CD1' ' A' ' 133' ' ' TYR . 1.3 m-30 -74.72 -46.96 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 25' ' ' LEU . 27.1 mt -43.6 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 167.42 -78.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.22 82.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.1 t30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.478 0.18 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.89 -94.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.78 121.6 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -139.1 132.71 30.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' CG ' ' N ' ' A' ' 6' ' ' ILE . 9.7 t30 -172.49 -88.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.5 mm -76.51 -85.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.036 ' HD3' HD11 ' A' ' 97' ' ' ILE . 2.7 mmmt -35.98 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.5 tp10 -57.99 -55.87 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.512 ' HG3' HD23 ' A' ' 10' ' ' LEU . 3.1 pt20 -55.6 -30.62 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.93 HD12 ' HD2' ' A' ' 7' ' ' LYS . 11.1 mt -69.43 -41.1 76.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -58.82 -58.55 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.3 p -41.24 -52.42 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 10' ' ' LEU . 19.7 m-30 -50.26 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.98 -45.74 71.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.1 m-20 -54.22 -31.19 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.49 2.57 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -110.59 -78.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.66 -172.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -79.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 p -41.31 163.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.22 28.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.628 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 1.3 mt-30 -70.33 -4.84 24.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' PHE . 6.1 pt-20 -37.11 -35.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -69.26 -57.26 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.5 mt -60.85 -24.53 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.85 -21.95 21.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' GLU . 33.3 t80 -76.37 -59.54 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.22 -29.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -89.31 -58.37 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 108.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -39.03 -41.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.696 HG22 ' ND1' ' A' ' 106' ' ' HIS . 45.8 m -78.4 53.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER 157.95 -23.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -98.15 31.66 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 t -134.66 -104.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.87 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 38' ' ' SER . 14.8 t -126.27 -161.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -96.64 -28.96 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.547 ' H ' HG23 ' A' ' 36' ' ' THR . 32.6 t -80.01 3.41 20.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -103.48 -29.7 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 30' ' ' SER . 61.4 t -54.38 153.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.17 60.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.9 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 4.6 p -164.77 133.47 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.98 149.09 36.29 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.494 1.786 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.88 -26.73 33.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.1 mt-10 -46.14 -57.4 8.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.459 HG22 HD12 ' A' ' 51' ' ' ILE . 24.5 mm -49.38 -43.78 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.65 -21.11 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.75 -42.3 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 100' ' ' VAL . 3.9 pt -81.01 2.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.3 mt -98.64 -24.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -89.12 35.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -113.71 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.4 p -90.89 24.33 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -83.43 -27.07 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.91 131.61 34.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 58' ' ' ASN . 3.6 tt0 -45.26 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.6 m-80 -33.78 -40.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -58.63 -59.12 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 pt20 -50.37 -40.45 49.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.19 -60.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -31.92 46.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.912 HG21 HD21 ' A' ' 110' ' ' LEU . 14.5 mt -62.39 -41.72 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -58.34 -50.89 72.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -70.4 -35.14 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.09 -48.91 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -54.08 -45.31 71.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 64' ' ' THR . 20.8 t -62.4 -38.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -42.26 -28.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.08 -53.41 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -49.24 -45.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -45.43 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -75.17 -36.79 61.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.718 HD23 HG21 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -57.45 -17.59 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.01 31.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.718 HG21 HD23 ' A' ' 74' ' ' LEU . 22.5 t -93.56 80.62 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 41.48 -137.39 2.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 176.66 -54.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.47 63.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.13 108.65 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 168.26 88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 23.1 m-85 -63.62 147.89 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -8.9 31.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.924 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -68.75 -49.64 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -35.66 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 2.4 t80 -83.81 53.01 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 3.4 m-85 -172.38 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -49.74 -45.69 49.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.2 p -69.08 -60.09 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 42.9 m-20 -89.07 106.83 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.485 ' C ' HD12 ' A' ' 96' ' ' ILE . 70.2 m -85.42 -41.99 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.1 tt0 -40.24 -52.35 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.5 Cg_endo -74.97 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.26 -21.0 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -77.72 -55.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.036 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.3 mp -50.32 -60.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.539 ' N ' HG22 ' A' ' 97' ' ' ILE . 55.3 t80 -46.43 -53.67 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' VAL . 20.3 m -59.64 -71.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.811 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -38.36 -41.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HG23 ' A' ' 63' ' ' ILE . 13.5 mm -67.44 -58.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CZ ' ' NE2' ' A' ' 106' ' ' HIS . 58.0 t80 -36.45 -63.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 4.4 t80 -52.1 -50.82 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 54' ' ' THR . 52.4 mt -51.07 -36.32 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.628 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 2.0 m-85 -82.15 -58.29 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.696 ' ND1' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -37.55 -70.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 6.4 m-85 -152.57 64.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.83 -112.64 2.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.3 m-85 -131.06 -19.05 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.912 HD21 HG21 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -49.74 134.96 19.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -119.7 137.41 53.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 114' ' ' ASN . 8.5 t70 -161.6 93.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -54.85 118.0 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.42 ' OD1' HD13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER 171.85 165.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -125.5 75.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' C ' ' CG ' ' A' ' 117' ' ' GLN . 6.1 mttm 68.93 -173.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.498 ' CG ' ' C ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 65.82 8.13 5.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -112.81 -166.93 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.667 HD11 HG22 ' A' ' 68' ' ' VAL . 7.2 mm -41.27 -63.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 13.3 ttpt -39.19 -39.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.2 tptt -64.79 -61.7 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.637 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.74 -65.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.765 ' CE1' HD13 ' A' ' 71' ' ' ILE . 2.4 m-85 -40.63 -41.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.8 tt0 -75.39 -36.92 60.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -52.01 -27.52 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.912 ' O ' HG22 ' A' ' 130' ' ' ILE . 16.0 mt -91.24 -63.41 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.7 -27.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 131' ' ' ALA . 8.6 m-20 -87.88 -63.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -47.13 -44.34 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -65.04 -34.94 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -70.24 -7.24 40.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 12.8 t0 -80.64 -25.16 38.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -96.47 -34.94 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 25' ' ' LEU . 54.0 mt -56.0 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 10.5 t-20 85.44 -47.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 66.2 91.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.498 0.189 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.56 165.84 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 mp0 -70.02 -93.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.9 p30 154.27 156.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 2.0 t-20 86.29 -156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 7' ' ' LYS . 8.7 mm -37.16 -76.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -29.84 -52.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -55.99 -57.94 10.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.0 mt-30 -49.53 -32.85 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HD2' ' A' ' 7' ' ' LYS . 14.1 mt -62.39 -59.85 4.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -38.47 -55.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -54.82 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE2' ' OD1' ' A' ' 49' ' ' ASN . 12.6 m-30 -58.73 -71.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -44.4 -53.3 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.91 -37.24 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -88.41 40.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -140.91 -65.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.89 -179.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.253 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.32 -73.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.7 p -85.09 -178.39 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -92.11 -37.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -74.7 -4.98 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -35.8 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -64.59 -49.46 71.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 HD21 ' A' ' 134' ' ' LEU . 5.6 mt -55.15 -32.98 62.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.04 -21.25 40.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 1.3 t80 -74.52 -60.84 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' NE ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -38.58 -30.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -88.29 -64.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -45.61 -54.71 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.812 HG21 ' CG ' ' A' ' 106' ' ' HIS . 2.5 m -38.88 -42.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 33.99 5.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -170.54 60.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.56 -82.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.82 -74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.825 HG22 ' HB2' ' A' ' 39' ' ' SER . 11.2 t -126.11 -150.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -103.4 -36.57 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.514 ' H ' HG23 ' A' ' 36' ' ' THR . 4.9 t -80.84 5.01 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.825 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.3 OUTLIER -104.41 -30.15 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 27' ' ' PHE . 53.7 t -45.43 164.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.902 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.4 t70 -65.87 -163.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.902 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 55.95 141.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 148.28 35.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 34.6 mt -81.73 -38.34 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -37.43 -56.96 1.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 50' ' ' ILE . 15.4 mm -44.14 -51.48 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -29.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.58 ' OD1' ' CE2' ' A' ' 13' ' ' PHE . 4.6 t-20 -73.66 -41.61 62.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -82.88 6.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE1' ' A' ' 109' ' ' PHE . 2.7 mt -99.9 -23.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.51 39.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -111.71 -23.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 63' ' ' ILE . 1.7 p -108.4 28.18 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -64.74 -68.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.66 148.78 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 61' ' ' ILE . 7.0 pm0 -67.05 -27.94 67.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 16.2 t-20 -64.98 -25.84 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 38.4 mm-40 -72.66 -58.71 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -43.6 -43.47 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 57' ' ' GLU . 6.1 mt -64.83 -65.01 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 66' ' ' ILE . 25.5 mt-10 -51.68 -27.23 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.894 HG21 HD11 ' A' ' 110' ' ' LEU . 65.5 mt -73.03 -54.67 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.97 -60.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -37.8 75.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -60.54 -41.72 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -58.99 -43.93 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG2' HD11 ' A' ' 119' ' ' ILE . 45.1 t -62.03 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -39.96 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 2.6 t-20 -89.66 -60.87 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD13 ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -44.59 -44.77 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -50.33 70.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.6 m -66.93 -33.51 75.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.746 HD23 HG21 ' A' ' 77' ' ' VAL . 4.5 mt -62.96 -13.28 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.66 37.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -168.55 31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.746 HG21 HD23 ' A' ' 74' ' ' LEU . 68.0 t -91.72 -0.52 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.15 125.73 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.3 p -56.16 177.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.6 128.48 32.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.68 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 21.6 m-85 -41.42 128.62 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -71.02 -3.96 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.022 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.99 -46.72 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.7 -42.66 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -79.91 56.16 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.781 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 4.5 t80 -148.73 -48.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -41.2 86.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.5 p -71.22 -64.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.6 m-20 -94.04 102.59 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 96' ' ' ILE . 56.5 m -86.83 -41.72 13.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -41.57 -50.67 9.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.04 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.58 -24.93 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 97' ' ' ILE . 1.2 mt -74.32 -55.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.045 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -54.52 -41.51 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CE2' ' CE2' ' A' ' 102' ' ' TYR . 13.6 t80 -71.41 -23.71 61.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 52.0 t -83.65 -69.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.09 -38.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.668 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -73.8 -50.35 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.609 ' CE2' ' CE2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -41.73 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.47 -44.4 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 104' ' ' LEU . 13.0 mt -49.97 -42.96 49.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -81.16 -55.49 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.812 ' CG ' HG21 ' A' ' 31' ' ' THR . 2.2 m80 -37.78 -60.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.591 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 87.3 m-85 -163.13 64.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.67 -108.65 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 51' ' ' ILE . 7.0 m-85 -126.38 -34.43 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 63' ' ' ILE . 3.4 mt -48.79 149.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -129.46 147.15 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -127.57 121.67 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.92 169.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' CB ' ' HG2' ' A' ' 117' ' ' GLN . 19.0 m120 58.82 -176.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -99.6 93.13 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER 36.23 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 114' ' ' ASN . 14.5 pt20 -159.43 26.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.74 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -138.71 -146.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.74 ' N ' HG23 ' A' ' 118' ' ' ILE . 1.9 mp -38.43 -57.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -42.13 -52.35 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -54.49 34.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.699 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.16 -64.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.666 ' CD1' HD13 ' A' ' 71' ' ' ILE . 3.1 m-85 -41.61 -44.96 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -69.75 -34.81 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -57.0 -27.71 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 74' ' ' LEU . 6.8 mt -92.88 -60.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . . . -41.51 -28.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 17.9 t70 -86.43 -60.38 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -49.91 -49.2 50.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.022 HD11 ' HB2' ' A' ' 85' ' ' ALA . 7.5 tt -54.86 -19.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -90.09 20.17 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.29 -25.66 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.571 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -112.53 -31.56 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.799 HD21 HD13 ' A' ' 25' ' ' LEU . 81.3 mt -45.61 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 62.46 67.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 60.93 69.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.513 0.197 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 66.07 172.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 38.87 61.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' CB ' ' HG3' ' A' ' 8' ' ' GLU . 18.2 p-10 -113.96 154.35 27.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' ILE . 11.0 p-10 -168.9 -155.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 6' ' ' ILE . 18.8 mm -40.45 -60.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.055 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.28 -55.96 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 4' ' ' ASN . 1.2 tm-20 -53.84 -46.37 71.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.41 -28.36 29.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 7' ' ' LYS . 10.8 mt -68.48 -57.38 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -41.02 -58.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLN . 25.1 p -43.53 -64.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 19.4 m-85 -42.59 -72.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -46.1 -44.33 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.51 -31.87 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' SER . 4.4 mt-30 -73.9 -10.49 59.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -89.1 -74.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -84.98 -167.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' THR . 80.4 p -150.45 -52.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 23' ' ' GLU . 62.2 p -44.39 170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -25.76 14.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ASP . 59.7 mt-30 -76.79 1.59 16.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 22' ' ' GLN . 81.8 mt-10 -33.78 -46.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -62.34 -55.97 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.704 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.4 mt -67.52 -10.86 55.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . 11.3 m-20 -90.62 -34.27 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.7 m-30 -67.4 -66.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.73 -31.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.2 m -90.54 -79.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' ASP . 66.1 m -38.35 -57.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 29.7 m -36.67 -43.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 31.97 6.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' CYS . 16.7 mm-40 -140.82 33.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.3 t -135.15 -101.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.74 -53.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 39' ' ' SER . 11.6 t -124.75 -151.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' N ' HG23 ' A' ' 36' ' ' THR . 13.9 m-85 -104.39 -43.76 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.643 ' HB2' HD11 ' A' ' 44' ' ' LEU . 29.8 t -69.46 -6.51 30.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.586 ' HB2' HG22 ' A' ' 36' ' ' THR . 22.6 t -85.03 -28.05 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG21 ' HZ ' ' A' ' 107' ' ' PHE . 59.5 t -55.47 161.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 8.0 t70 -85.06 63.96 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.1 p -166.0 140.35 3.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' C ' ' HD2' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.97 145.29 31.39 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 38' ' ' SER . 32.8 mt -81.7 -33.55 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -41.06 -55.96 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.97 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.678 HG22 ' CD1' ' A' ' 51' ' ' ILE . 19.7 mm -47.42 -50.44 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.1 mtpt -50.59 -22.79 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 6.6 t-20 -78.61 -39.07 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -84.71 0.03 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 47' ' ' ILE . 21.1 mt -97.59 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -89.95 37.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.65 -33.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.818 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -97.18 24.79 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -68.17 -69.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.78 134.84 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.708 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.18 -21.26 21.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.21 -48.29 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -56.57 -55.35 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -53.13 -40.8 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.2 mt -61.61 -59.55 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.28 -29.1 57.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.818 ' CD1' HG22 ' A' ' 54' ' ' THR . 36.7 mt -73.19 -51.38 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -42.02 -63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 64' ' ' THR . 1.8 mttp -55.39 -42.26 73.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -48.72 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.65 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -58.48 -42.71 88.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 64' ' ' THR . 39.5 t -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -40.51 -51.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' THR . 4.5 t-20 -74.47 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.607 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -40.75 -59.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -47.82 -41.09 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASN . 23.4 m -72.69 -30.9 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 77' ' ' VAL . 6.2 mt -61.33 -13.04 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 p -84.39 42.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.6 m -170.41 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.674 ' CG1' ' CE1' ' A' ' 87' ' ' PHE . 72.2 t 38.95 74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.57 -172.42 13.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 -61.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 p -88.48 93.46 9.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.76 -171.72 29.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -168.96 -51.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 20.1 m-85 -40.35 112.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 74' ' ' LEU . 8.7 tpt -73.22 -4.68 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.74 -53.78 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t -53.22 -26.37 17.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.674 ' CE1' ' CG1' ' A' ' 77' ' ' VAL . 4.0 m-85 -83.35 47.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 3.6 t80 -125.87 -43.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -32.31 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 15.1 p -49.92 -44.92 50.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.496 ' HB3' ' CD ' ' A' ' 94' ' ' PRO . 16.7 m120 -166.93 134.42 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.4 p -84.7 -43.64 14.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.685 ' OE1' HD11 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -38.27 -52.59 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.496 ' CD ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.04 -50.37 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.28 -27.23 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 mt -70.17 -56.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.055 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -51.31 -43.46 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.02 -32.15 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' TYR . 51.4 t -74.4 -69.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.658 HG22 HD12 ' A' ' 50' ' ' ILE . 1.5 t -42.03 -54.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 6.2 mm -50.25 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.805 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -38.63 -68.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.791 ' CZ ' ' CE2' ' A' ' 107' ' ' PHE . 24.8 t80 -40.07 -60.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' PHE . 45.5 mt -38.7 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 1.043 ' CE2' HD13 ' A' ' 110' ' ' LEU . 13.4 m-85 -47.24 -50.79 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.511 ' HE2' ' HD2' ' A' ' 102' ' ' TYR . 6.1 m-70 -45.82 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.791 ' CE2' ' CZ ' ' A' ' 103' ' ' PHE . 3.9 m-30 -51.17 -31.62 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.26 63.23 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -124.38 -46.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -68.28 137.19 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 150.1 37.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.22 125.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.74 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 13.5 p30 -118.37 149.23 41.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER 172.26 -170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.92 1.43 39.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' O ' ' CG ' ' A' ' 117' ' ' GLN . 6.7 pt20 -169.72 120.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' ILE . 2.7 tp -127.16 166.64 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.666 HG21 ' CE2' ' A' ' 105' ' ' TYR . 20.3 mm -38.65 -68.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ILE . 3.5 ttpt -40.19 -47.99 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -50.72 -49.56 57.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.85 -66.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.805 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 11.7 m-30 -46.04 -24.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -84.37 -36.99 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -62.39 -29.03 70.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.556 HD13 HD22 ' A' ' 74' ' ' LEU . 2.3 mt -90.33 -54.14 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -39.63 -30.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -87.58 -52.15 5.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -54.35 -32.12 56.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.1 tt -82.72 -27.09 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.77 4.63 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.8 -22.21 29.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -104.82 -23.8 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 131' ' ' ALA . 19.7 mt -48.82 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.22 85.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.77 37.29 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.3 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtm . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.514 0.197 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -77.18 -63.07 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' C ' ' OD1' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -65.18 -63.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.8 OUTLIER 74.33 -176.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 3.1 m-20 153.74 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 26.8 mm -38.1 -53.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.95 -53.66 52.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -56.9 -42.39 79.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.604 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.3 mt-30 -50.78 -38.65 49.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 7.8 mt -64.39 -54.18 36.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.3 mp -50.43 -65.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -33.11 -54.25 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 6.3 m-30 -54.7 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 5.6 t80 -63.77 -9.14 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -83.08 -35.15 25.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 6.2 pt20 -82.2 7.6 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -108.73 -66.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 23' ' ' GLU . 32.0 p -57.04 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.334 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -77.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -73.13 165.97 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -77.11 -18.74 57.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.556 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -88.61 0.86 55.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.76 -39.4 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 24.0 ptt85 -63.41 -52.18 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 134' ' ' LEU . 7.4 mt -64.31 -27.66 69.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' SER . 2.2 t70 -82.44 -25.29 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -69.24 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -36.81 -34.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.53 -75.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 29' ' ' CYS . 8.7 t -33.66 -38.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 99.2 m -77.76 50.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 33' ' ' GLU . 10.0 ptt180 -176.29 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 32' ' ' ARG . 2.2 mt-10 -90.78 27.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.4 p -120.94 -109.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -171.49 -58.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 37' ' ' PHE . 15.1 t -115.78 -145.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.737 ' CD1' ' CG ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -114.7 -27.01 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.616 ' H ' HG23 ' A' ' 36' ' ' THR . 40.1 t -77.02 -4.16 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -93.9 -31.69 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' VAL . 75.2 t -59.22 151.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.48 72.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.4 p -175.89 130.71 0.4 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 150.32 38.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.0 mt -80.87 -31.5 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 mt-10 -42.38 -58.78 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 50' ' ' ILE . 2.3 mm -45.76 -48.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -46.63 -27.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -77.01 -42.32 39.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.963 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -78.76 1.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.844 HD12 HG22 ' A' ' 47' ' ' ILE . 10.7 mt -102.35 -38.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -60.13 -14.9 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -67.3 -29.53 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.771 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.3 p -106.84 18.24 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 15.5 mmtt -93.92 25.17 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' NE2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.15 138.37 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.5 tt0 -48.23 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 57' ' ' GLU . 22.9 m120 -32.47 -45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 56' ' ' ASP . 3.4 mp0 -64.05 -67.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -47.51 -32.78 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.03 -63.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.6 mt-10 -53.2 -27.42 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 110' ' ' LEU . 18.9 mt -71.93 -54.59 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -40.49 -58.16 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' N ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -62.93 -50.24 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.2 mt -46.52 -44.55 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 119' ' ' ILE . 15.5 t -68.1 -42.64 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.52 -29.03 61.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' CG ' ' CE1' ' A' ' 98' ' ' PHE . 27.8 m120 -92.35 -36.82 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -66.72 -49.75 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 73' ' ' THR . 4.4 ptmt -47.46 -38.8 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 4.1 m -73.46 -35.3 65.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.715 HD23 HG21 ' A' ' 77' ' ' VAL . 3.2 mt -58.41 -17.5 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.29 34.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.97 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD23 ' A' ' 74' ' ' LEU . 41.2 t -93.89 -5.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.15 -56.12 3.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.93 -54.35 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 80' ' ' THR . 9.4 t -109.3 77.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.04 -165.64 23.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.52 -73.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 133' ' ' TYR . 21.5 m-30 -79.12 145.96 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 19.2 mmt -72.11 -39.52 68.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -58.69 -46.06 88.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -41.23 -54.68 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -46.42 -39.34 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.9 t80 -55.64 -21.43 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -61.57 -57.19 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 61.9 p -74.27 -71.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.407 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 1.1 t-20 -82.63 82.57 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 96' ' ' ILE . 57.6 p -89.43 -47.93 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 6.4 mt-10 -42.52 -50.63 12.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.94 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.454 1.765 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.632 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.86 -20.79 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.555 HG21 ' CG1' ' A' ' 11' ' ' ILE . 1.5 mt -76.05 -60.4 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.2 mp -40.69 -33.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CE1' ' CG ' ' A' ' 70' ' ' ASN . 5.1 m-30 -71.82 -47.51 52.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ILE . 16.6 t -44.19 -41.05 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.963 HG22 HD12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -69.6 -42.44 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 123' ' ' TYR . 3.3 mm -62.79 -34.84 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 3.6 m-85 -61.77 -73.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -36.39 -50.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 54' ' ' THR . 86.0 mt -50.0 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.9 m-85 -51.83 -24.81 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.1 OUTLIER -61.32 -34.3 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.574 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.737 ' CG ' ' CD1' ' A' ' 37' ' ' PHE . 15.2 m-85 -115.76 39.54 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PHE . . . 36.63 58.88 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.23 -47.03 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -62.94 138.54 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -103.11 124.79 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -126.82 177.04 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -92.3 34.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 116' ' ' LYS . 2.8 t-20 -172.48 54.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -39.81 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ASN . 1.3 mmtm -174.86 -174.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.606 ' O ' ' C ' ' A' ' 118' ' ' ILE . 2.6 pt20 -58.31 -56.53 20.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER 22.85 -102.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.8 mm -56.92 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 117' ' ' GLN . 2.4 tttp -37.69 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' ILE . 3.6 tptt -63.82 -60.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.687 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.87 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.789 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 10.5 m-85 -43.51 -32.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.6 tt0 -78.58 -37.74 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.4 t -61.22 -25.69 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.657 HD12 HD13 ' A' ' 74' ' ' LEU . 3.7 mt -95.17 -56.75 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.592 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.6 -29.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 27.0 t0 -90.42 -59.06 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 2.5 m-80 -47.21 -44.74 22.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.7 tt -57.09 -32.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.87 1.76 11.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 41.1 t0 -85.96 -32.01 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 83' ' ' TYR . 9.3 p90 -131.88 37.31 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.07 -79.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.66 -75.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -157.93 82.11 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 170.89 108.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.79 -147.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.4 m120 -52.99 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 1.1 t-20 82.18 -8.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.69 -66.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -40.23 -52.89 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -36.32 55.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.485 HD23 ' N ' ' A' ' 10' ' ' LEU . 5.3 mt -57.65 -56.82 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.799 HG13 HG21 ' A' ' 96' ' ' ILE . 1.1 mp -46.61 -69.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' HG22 ' A' ' 11' ' ' ILE . 29.7 m -38.57 -67.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 50' ' ' ILE . 5.6 m-30 -37.67 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -43.01 -36.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.2 t-20 -51.58 -37.5 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.0 mt-30 -86.72 40.82 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -145.25 -71.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.94 -167.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.338 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -84.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -60.06 179.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.18 -40.93 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASP . 7.7 mt-30 -52.49 -28.55 20.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -42.19 -49.17 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' NH2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.96 -60.93 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.654 ' HA ' HD11 ' A' ' 28' ' ' ILE . 13.9 mt -59.77 -20.83 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -83.09 -31.31 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -69.44 -60.71 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 25' ' ' LEU . 3.3 pt -39.26 -30.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -87.27 -60.24 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.351 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.02 -63.04 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.746 HG21 ' HB3' ' A' ' 106' ' ' HIS . 5.4 m -48.54 -22.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 33.9 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -169.54 41.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.7 m -164.12 87.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -35.25 39.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -67.9 -21.3 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 40.4 m-85 48.45 21.31 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.83 ' H ' HG23 ' A' ' 36' ' ' THR . 8.7 t -121.95 -6.25 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -89.15 -10.18 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.47 156.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -66.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.608 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.7 p -50.39 136.84 23.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 149.7 37.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 38' ' ' SER . 11.0 mt -81.4 -24.63 36.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.4 mt-10 -48.76 -58.94 7.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.773 HD13 HD11 ' A' ' 50' ' ' ILE . 4.1 mm -52.29 -36.39 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -13.38 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' PRO . 29.9 t30 -88.9 -36.87 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.02 HD12 HG22 ' A' ' 100' ' ' VAL . 6.0 pt -85.1 -1.67 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.599 ' HA ' HD21 ' A' ' 104' ' ' LEU . 14.0 mt -88.3 -40.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.85 -13.11 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 50' ' ' ILE . 5.9 tp -53.15 -31.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.451 HG22 HD13 ' A' ' 63' ' ' ILE . 6.0 p -100.12 20.98 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.94 -39.13 91.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.07 145.12 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.8 pt-20 -65.56 -33.28 75.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.77 -45.53 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.95 -54.81 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mt -50.38 -65.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.1 tt0 -53.05 -27.65 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.782 HG21 HD21 ' A' ' 110' ' ' LEU . 13.4 mt -73.79 -52.72 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -40.69 -59.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.12 -47.26 85.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.1 mt -51.67 -41.02 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' THR . . . -59.3 -43.93 92.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' ASN . 43.6 t -64.53 -48.34 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -40.98 -29.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -95.49 -53.56 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -48.7 -49.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -42.37 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -57.76 -29.97 65.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.001 HD13 HD12 ' A' ' 126' ' ' ILE . 36.6 mt -82.13 48.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.47 -6.88 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.908 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t 59.15 80.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 79' ' ' ALA . . . -159.98 175.33 36.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 78' ' ' GLY . . . 85.94 -47.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 80' ' ' THR . 9.8 t -110.3 59.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.99 -132.95 4.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -162.05 -58.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 63.6 m-85 -113.08 159.11 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 126' ' ' ILE . 1.1 mpt? -56.88 -19.89 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.881 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -62.4 -46.78 87.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -49.86 -24.61 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 77' ' ' VAL . 1.5 t80 -87.65 50.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 1.019 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 18.4 t80 -143.02 -44.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -45.54 73.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -51.89 -40.99 61.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 70.7 m-20 -137.8 108.33 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.868 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -84.36 -44.05 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -37.73 -52.85 2.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.019 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -48.51 -31.26 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 92' ' ' SER . 2.0 mt -71.85 -57.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.573 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -60.52 -35.49 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.747 ' CZ ' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -71.71 -27.36 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 9.0 t -75.32 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 1.02 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.13 -54.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.0 mm -51.27 -58.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.771 ' HE2' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -43.93 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 107' ' ' PHE . 1.3 t80 -34.12 -59.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' A' ' 51' ' ' ILE . 24.7 mt -44.35 -67.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.7 m-85 -54.09 -49.16 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.746 ' HB3' HG21 ' A' ' 31' ' ' THR . 0.0 OUTLIER -52.56 -51.5 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 2.9 m-85 -68.47 -36.8 79.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.09 77.75 1.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -141.05 -53.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.782 HD21 HG21 ' A' ' 63' ' ' ILE . 1.5 mt -59.46 151.69 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -104.32 140.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.581 ' OD1' HG21 ' A' ' 118' ' ' ILE . 3.1 p30 -146.53 123.93 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -78.91 150.4 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.469 ' HB3' HD13 ' A' ' 118' ' ' ILE . 6.0 t-20 70.05 129.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.4 82.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.64 122.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 38.72 36.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.648 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.6 tp -81.44 -172.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.839 HG22 ' CD2' ' A' ' 123' ' ' TYR . 13.6 mm -48.19 -71.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -42.24 -47.21 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -43.94 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.03 -64.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.4 m-85 -40.48 -31.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.76 -42.55 21.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.23 -28.19 10.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 1.001 HD12 HD13 ' A' ' 74' ' ' LEU . 15.4 mt -90.78 -62.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -39.73 -29.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -82.06 -64.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 3.4 t-20 -49.79 -48.94 50.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.881 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -55.82 -22.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.82 10.39 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 51.6 t0 -74.07 -55.48 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -76.28 -20.41 57.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.6 mt -49.95 -80.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 67.74 85.78 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.57 71.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.03 -169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 68.47 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.553 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.9 m-20 -159.68 155.41 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 3.5 t-20 85.93 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 53' ' ' ILE . 11.7 mm -39.84 -72.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.626 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -31.47 -47.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -57.2 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -47.99 -40.56 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.26 -60.67 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -39.64 -61.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.1 t -38.98 -62.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.697 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 18.3 m-85 -53.72 -72.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -43.08 -36.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.49 -41.41 96.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.9 mt-30 -73.0 -3.3 25.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -107.25 -88.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 15.8 p -97.7 110.47 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -72.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -40.91 152.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -75.63 -47.78 25.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.655 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.23 -35.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.79 -35.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.05 -52.32 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.688 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.6 mt -67.06 -21.09 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-20 -81.67 -26.55 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.7 m-30 -72.72 -66.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -38.62 -32.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' PHE . 49.2 t -90.21 -76.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 19.6 m -40.79 -61.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 106' ' ' HIS . 30.2 m -39.31 -51.46 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.69 34.84 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -167.88 50.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -136.88 -102.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -170.92 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 38' ' ' SER . 1.1 t -131.85 170.57 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 107' ' ' PHE . 3.0 m-85 -64.28 -38.68 91.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.785 ' CA ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -78.45 4.56 12.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 36' ' ' THR . 9.4 t -100.2 -18.72 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 41' ' ' ASP . 97.8 t -72.07 164.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -68.38 -57.19 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 47' ' ' ILE . 6.0 p -44.08 138.12 3.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 145.21 31.2 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD11 ' CA ' ' A' ' 38' ' ' SER . 12.6 mt -82.11 -28.66 32.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -45.87 -57.37 8.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HD12 ' A' ' 51' ' ' ILE . 11.3 mm -45.78 -50.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -47.25 -27.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.697 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 t-20 -75.38 -42.61 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 100' ' ' VAL . 2.3 pt -82.51 4.57 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.669 HD12 HG22 ' A' ' 47' ' ' ILE . 10.6 mt -102.36 -29.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.61 36.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -108.05 -38.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.767 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -89.76 14.13 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -7.28 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.6 m-20 -104.8 139.48 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' ASN . 1.9 tt0 -50.88 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.2 m-20 -35.36 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -64.42 -59.15 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' CG ' ' HD3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -57.53 -27.78 62.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 2.4 mt -76.39 -56.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.07 -31.34 65.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.781 HG21 HD21 ' A' ' 110' ' ' LEU . 15.6 mt -65.81 -51.39 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.97 -58.75 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -43.82 97.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.4 mt -53.07 -54.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.66 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 119' ' ' ILE . 6.8 t -64.74 -51.82 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.9 t30 -39.75 -31.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -97.84 -54.87 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -46.13 -56.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.92 -36.32 7.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 m -76.87 -32.31 57.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -60.15 -15.46 24.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -65.2 -10.38 31.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.074 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -8.85 24.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 74' ' ' LEU . 7.1 t -94.32 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.44 -105.68 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.74 -53.13 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -111.79 29.63 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.16 -140.39 11.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' A' ' 83' ' ' TYR . 0.7 OUTLIER 177.71 80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 6.1 m-85 35.84 93.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . 2.0 tmt? -36.04 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.16 -45.64 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 0.4 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.2 m-85 -85.43 44.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 1.006 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 14.9 t80 -132.62 -45.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 20.1 p -64.42 -48.69 74.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.7 p -56.39 -56.42 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 35.8 p-10 -113.17 101.86 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 96' ' ' ILE . 1.4 m -84.26 -41.7 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.5 mt-10 -38.0 -53.46 2.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.162 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.49 ' CG ' ' HB2' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.006 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -47.48 -27.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 92' ' ' SER . 1.4 mt -76.24 -59.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -51.4 -35.49 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -63.42 -63.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 -59.26 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.954 HG22 HD12 ' A' ' 50' ' ' ILE . 4.2 t -43.86 -61.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.2 mm -53.58 -46.07 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 123' ' ' TYR . 1.2 m-85 -57.68 -75.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -36.47 -51.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.03 -50.05 65.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.3 m-85 -68.82 -44.17 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.527 ' HB3' HG22 ' A' ' 31' ' ' THR . 17.1 m-70 -41.4 -60.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 22.3 m-85 -67.21 -63.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 13.8 m-85 -91.34 -58.15 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -55.44 147.07 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -55.87 106.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.96 87.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 115' ' ' LYS . 2.8 t-20 -40.17 154.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -70.31 61.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' ASN . 1.9 tttt -170.24 -44.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 142.86 40.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.531 ' O ' ' C ' ' A' ' 118' ' ' ILE . 1.2 mm-40 -120.76 -71.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.562 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER 30.45 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.893 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.9 mm -59.4 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 117' ' ' GLN . 10.2 tttm -46.71 -25.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CG ' ' HB3' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.23 -65.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.893 ' CD2' HG22 ' A' ' 119' ' ' ILE . 3.5 m-85 -41.47 -40.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.85 -38.06 73.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -57.22 -28.28 62.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.64 HD13 HD22 ' A' ' 74' ' ' LEU . 3.2 mt -93.94 -56.43 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 130' ' ' ILE . . . -46.8 -25.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 71.2 m-20 -89.37 -60.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -49.95 -34.93 22.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.9 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -69.72 -30.86 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.83 2.96 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -82.06 -30.75 31.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -93.17 -18.78 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 131' ' ' ALA . 23.4 mt -59.14 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.28 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.33 73.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.526 0.203 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 175.35 -70.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 -73.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.26 -68.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -104.78 -27.53 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 9' ' ' GLN . 31.2 mm -57.07 -86.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.93 -29.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 6' ' ' ILE . 3.2 tt0 -64.64 -52.05 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.28 -28.36 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 7.8 mt -63.06 -47.97 80.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.85 -58.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -41.4 -63.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HD2' HG22 ' A' ' 50' ' ' ILE . 4.6 m-30 -36.53 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.791 ' CD1' HG21 ' A' ' 50' ' ' ILE . 1.2 m-85 -30.48 -48.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.5 t-20 -37.95 -46.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.4 pt20 -80.89 47.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -160.48 -73.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 28.9 p -132.46 106.75 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 27.68 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -77.59 -159.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -104.99 -53.87 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' ASP . 23.0 mt-30 -74.81 -2.3 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -37.53 -35.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG3' HD23 ' A' ' 25' ' ' LEU . 1.6 ptp85 -77.53 -50.69 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' HG3' ' A' ' 24' ' ' ARG . 12.9 mt -68.7 -7.96 38.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLN . 3.0 m-20 -87.78 -38.75 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.2 m-85 -67.11 -61.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 130' ' ' ILE . 2.2 pt -49.3 -25.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 46.5 t -86.93 -73.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.259 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -41.71 -48.77 4.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 HG21 ' CE2' ' A' ' 102' ' ' TYR . 86.7 m -48.37 -41.18 27.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.05 18.64 15.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -148.23 48.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -168.8 91.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -48.82 -29.89 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.749 HG23 ' N ' ' A' ' 37' ' ' PHE . 1.8 t -103.59 -155.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.749 ' N ' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -123.95 -37.73 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.932 ' HA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -61.65 -13.07 19.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -80.4 -48.74 12.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -43.49 146.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.935 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.4 t0 -56.97 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' ASP . 3.4 p 56.68 142.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 147.47 33.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 38' ' ' SER . 24.9 mt -82.03 -11.77 58.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mt-10 -61.87 -59.8 12.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.562 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -75.06 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 50' ' ' ILE . 6.7 mm -51.74 -40.82 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.0 -12.4 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 7.3 t-20 -85.05 -37.25 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.791 HG21 ' CD1' ' A' ' 14' ' ' PHE . 29.6 pt -85.85 -7.75 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.5 mt -77.82 -23.23 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -90.07 26.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -100.76 -28.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.57 HG22 HD13 ' A' ' 63' ' ' ILE . 4.4 p -98.65 -17.49 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -44.08 -44.12 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 6.6 m-20 -63.71 144.59 56.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 2.2 tt0 -58.75 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' GLU . 72.5 m-20 -37.46 -35.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 4.4 mm-40 -57.89 -54.11 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 2.5 mm-40 -51.53 -52.61 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -63.56 -52.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -55.2 -29.7 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 110' ' ' LEU . 22.4 mt -67.96 -46.68 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.99 -56.66 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.44 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 -47.76 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.58 -44.99 85.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 64' ' ' THR . 36.8 t -60.03 -38.6 77.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -51.95 -22.71 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' ND2' ' HB2' ' A' ' 98' ' ' PHE . 24.1 t-20 -92.29 -37.69 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.685 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -69.86 -49.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -52.23 -26.3 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 m -86.94 -41.59 13.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.939 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -49.32 -26.83 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.85 62.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.9 OUTLIER -170.19 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.57 HG21 HD23 ' A' ' 74' ' ' LEU . 21.7 t -37.43 98.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -94.47 -143.42 13.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' THR . . . -46.26 -59.58 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 79' ' ' ALA . 61.0 p 37.53 -155.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -45.53 -48.12 12.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.167 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 174.95 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE2' ' CD1' ' A' ' 133' ' ' TYR . 52.1 m-85 -116.31 -164.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mmt -77.09 0.53 21.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.905 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -82.3 -44.34 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . 55.5 m -63.49 -46.23 87.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -48.88 -55.83 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.4 m-85 -61.35 -16.25 44.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -63.83 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.1 p -70.08 -41.99 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.505 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 3.9 t-20 -93.34 89.4 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ILE . 52.4 p -86.5 -47.37 9.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -37.37 -53.4 2.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -75.0 -47.13 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -53.7 -22.82 9.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 97' ' ' ILE . 1.9 mt -78.57 -57.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.555 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -54.29 -36.08 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.513 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . 18.4 t80 -72.43 -59.74 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.9 -65.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 14' ' ' PHE . 2.3 t -41.96 -59.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.795 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.3 mm -51.16 -66.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.448 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 61.6 t80 -35.88 -64.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -45.75 -44.48 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 108' ' ' GLY . 25.0 mt -62.04 -73.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -39.41 -60.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.448 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -38.69 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -149.73 76.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -141.88 -106.43 0.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' ILE . 22.3 m-85 -131.5 -30.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.904 HD11 HG21 ' A' ' 63' ' ' ILE . 2.0 mt -48.19 154.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -117.5 121.77 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 9.1 p-10 -135.34 92.5 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -153.82 98.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 118' ' ' ILE . 1.1 m-20 -176.21 88.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.09 179.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -88.37 -163.34 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 42.86 29.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 114' ' ' ASN . 2.2 tp -80.12 171.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 68' ' ' VAL . 6.9 mm -42.49 -69.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' CG ' ' OD2' ' A' ' 112' ' ' ASP . 2.1 ptmt -42.72 -32.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.52 -54.25 39.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.84 -62.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -37.78 -36.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 28.8 tt0 -81.9 -43.05 18.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -44.55 -27.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.939 HD12 HD13 ' A' ' 74' ' ' LEU . 14.6 mt -90.97 -63.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -41.24 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -83.05 -61.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -50.02 -44.25 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.905 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -62.51 -28.99 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -84.63 3.71 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.47 -27.42 22.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -100.81 -19.9 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 131' ' ' ALA . 10.7 mt -51.94 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 4.2 t30 80.99 82.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.87 60.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.423 0.154 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -176.69 116.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 69.47 170.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 64.61 156.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.76 -66.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' GLN . 11.7 mm -56.02 -80.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -42.52 -39.12 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -44.62 96.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 mt-30 -55.06 -33.95 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.14 -42.6 84.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.978 ' CG1' HD13 ' A' ' 96' ' ' ILE . 1.2 mp -60.03 -61.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -39.29 -58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 4.2 m-85 -42.48 -90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 20' ' ' THR . 0.1 OUTLIER -43.98 -36.65 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -59.19 -38.07 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 4.1 pt20 -89.45 28.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -118.5 -65.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -132.21 156.22 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -58.89 -16.47 17.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.935 HG23 ' O ' ' A' ' 18' ' ' CYS . 43.6 p 42.38 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.458 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER 80.52 -56.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 4.2 pt20 -95.68 -34.29 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -57.29 -47.89 80.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 25' ' ' LEU . 10.6 ptt180 -43.31 -47.41 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 28' ' ' ILE . 4.3 mt -64.34 -35.44 80.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.4 t0 -84.92 -7.09 59.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 40' ' ' VAL . 62.6 t80 -89.47 -58.36 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -37.99 -31.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.26 -61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.273 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.504 ' HA ' ' HG3' ' A' ' 33' ' ' GLU . 38.0 m -46.96 -48.51 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.773 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 23.8 m -55.46 -17.04 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.46 31.78 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -171.14 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 m -118.32 -93.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.85 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.5 t -116.48 -151.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -104.29 -40.49 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -71.13 -5.12 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -88.95 -32.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 27' ' ' PHE . 98.7 t -57.01 147.92 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.885 ' O ' HG12 ' A' ' 42' ' ' VAL . 12.1 t0 -53.91 163.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.911 HG23 ' HB2' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 91.88 135.47 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.03 158.75 41.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 69.3 mt -84.12 -15.86 45.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 mt-10 -56.32 -56.33 32.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.95 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 47' ' ' ILE . 7.0 mm -48.58 -50.48 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.5 -15.54 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.609 ' CG ' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t-20 -84.36 -34.79 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.8 HD12 HG22 ' A' ' 100' ' ' VAL . 9.3 pt -87.46 -21.67 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 109' ' ' PHE . 5.0 mt -66.74 -21.93 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 29.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -109.75 -24.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.724 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.9 p -111.73 20.57 16.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -71.6 -55.93 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.65 132.11 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.721 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -55.85 -29.96 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 90.9 m-20 -67.97 -34.62 76.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.02 -46.71 64.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.01 -37.05 68.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 57' ' ' GLU . 7.0 mt -71.54 -57.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -35.47 70.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.868 ' CG2' HD21 ' A' ' 110' ' ' LEU . 28.6 mt -59.91 -44.94 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -53.64 -56.21 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.11 82.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -51.39 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.48 -40.96 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 64' ' ' THR . 37.9 t -65.24 -54.17 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.5 t30 -38.93 -30.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -97.04 -54.59 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -46.79 -50.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -51.7 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -61.43 -33.48 73.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.4 mt -61.27 -14.41 26.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.02 47.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.7 m -169.94 -66.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.537 HG13 ' CG ' ' A' ' 87' ' ' PHE . 5.1 t 40.55 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.95 -104.67 1.52 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -170.77 -52.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.0 p -75.99 149.89 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 50.13 -162.11 0.95 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -166.1 58.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' A' ' 133' ' ' TYR . 21.3 m-85 -103.23 94.67 5.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.585 ' SD ' HG21 ' A' ' 126' ' ' ILE . 49.3 ttp -63.96 -22.46 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.009 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.16 -43.23 98.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -32.2 70.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CG ' HG13 ' A' ' 77' ' ' VAL . 24.1 t80 -90.27 23.81 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -32.37 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 t -64.17 -49.38 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.7 p -60.17 -49.87 75.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -101.24 99.66 10.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 53.1 p -86.27 -48.01 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.489 ' CG ' ' HE2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -37.75 -53.23 2.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.74 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.978 HD13 ' CG1' ' A' ' 11' ' ' ILE . 9.8 mt -72.02 -66.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.565 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -52.74 -40.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -48.43 -69.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -47.13 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.35 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.8 HG22 HD12 ' A' ' 50' ' ' ILE . 1.4 t -39.23 -53.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.498 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -55.34 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 26.1 t80 -40.41 -57.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 5.8 t80 -37.72 -64.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' TYR . 4.5 mt -49.56 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.3 m-85 -34.41 -58.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.8 t60 -39.84 -61.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.565 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.773 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -165.63 76.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -142.94 -104.24 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 5.7 m-85 -121.84 -38.12 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD21 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -50.16 136.2 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 135.88 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 113' ' ' ASN . 38.8 t0 -169.82 65.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.538 ' O ' HD13 ' A' ' 118' ' ' ILE . 71.2 m-80 44.32 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' HA ' HG21 ' A' ' 118' ' ' ILE . 1.4 p-10 -94.19 166.75 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.45 59.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -176.84 55.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 116' ' ' LYS . 21.3 pt20 45.43 37.93 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -94.01 -177.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.894 HG22 ' CD2' ' A' ' 123' ' ' TYR . 31.9 mm -41.68 -62.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -43.62 -36.64 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -69.8 -44.3 70.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 125' ' ' THR . . . -66.28 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.894 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.5 m-85 -42.28 -35.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.34 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -54.35 -28.14 40.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.585 HG21 ' SD ' ' A' ' 84' ' ' MET . 4.7 mt -92.96 -57.85 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.62 -29.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.6 OUTLIER -87.44 -57.69 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 19.1 t-20 -48.79 -45.35 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.009 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.8 tt -58.71 -30.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.62 2.18 26.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 6.2 t70 -87.33 -22.79 24.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -102.09 -25.53 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 44.6 mt -50.4 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 3.3 t30 85.38 -47.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.33 81.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.475 0.178 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -165.67 -72.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 169.74 -81.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.346 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-80 -95.2 153.51 17.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.55 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.7 mm -49.87 -79.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -39.83 -44.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -48.28 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -57.07 -37.42 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.633 HD11 ' SD ' ' A' ' 1' ' ' MET . 13.5 mt -56.88 -45.26 82.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.476 HG13 HD13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.13 -56.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 9.2 m -42.4 -63.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 1.9 m-85 -37.68 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 1.031 ' CE1' HG21 ' A' ' 100' ' ' VAL . 1.9 m-85 -32.21 -46.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.8 t-20 -39.09 -45.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.3 mt-30 -81.42 46.54 0.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -159.88 -76.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m -160.52 120.25 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -145.94 21.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -78.18 -165.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -115.72 -44.5 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -64.24 -52.12 60.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 41' ' ' ASP . 23.9 mt-10 -54.45 -36.12 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mtm-85 -59.62 -54.39 46.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 134' ' ' LEU . 3.8 mt -56.7 -32.05 65.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.53 -22.22 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -72.37 -60.87 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.43 -30.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' N ' ' C ' ' A' ' 27' ' ' PHE . 49.1 t -86.23 -75.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -39.47 -53.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.841 HG21 ' ND1' ' A' ' 106' ' ' HIS . 17.3 m -38.1 -56.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 29.38 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -170.22 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -127.1 -103.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.47 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 38' ' ' SER . 5.4 t -99.04 -18.9 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.618 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 19.0 m-85 63.82 10.47 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.774 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -126.14 1.01 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 36' ' ' THR . 1.1 m -126.54 18.61 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 41' ' ' ASP . 52.9 t -48.36 -96.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' HG12 ' A' ' 40' ' ' VAL . 16.7 t0 -139.02 -54.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 p -58.8 140.29 86.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.04 147.85 34.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.529 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 22.2 mt -82.17 -31.98 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.8 mt-10 -42.96 -58.0 4.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -75.04 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 15.8 mm -49.47 -49.58 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.3 mttm -59.29 -16.15 20.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 9.9 t-20 -78.59 -35.01 46.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.822 HG21 ' CD1' ' A' ' 14' ' ' PHE . 33.1 pt -85.82 -36.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 9.6 mt -46.66 -24.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.64 36.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.1 tp -110.48 -35.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.618 ' CG2' HG23 ' A' ' 53' ' ' ILE . 2.1 p -104.27 23.85 12.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -73.29 -34.94 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 169.36 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.6 -51.35 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -58.99 -18.3 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -56.02 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -49.7 -41.23 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 61.3 mt -63.79 -62.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -35.02 59.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.975 HG21 HD21 ' A' ' 110' ' ' LEU . 39.5 mt -62.76 -50.9 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.81 -58.47 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -47.54 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.92 -45.07 74.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 119' ' ' ILE . 15.7 t -68.28 -33.32 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -61.39 -31.78 71.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -92.87 -36.64 12.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.677 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -65.05 -47.11 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -47.44 -24.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 71' ' ' ILE . 33.0 m -88.01 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.944 HD13 HD12 ' A' ' 126' ' ' ILE . 2.6 mt -54.56 -19.8 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.84 28.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 74' ' ' LEU . 21.7 t -74.21 159.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.48 132.76 3.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.16 -70.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 p -39.85 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.18 138.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' MET . 19.8 mm100 -91.54 23.95 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -65.39 72.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 126' ' ' ILE . 1.3 tmm? -51.3 -20.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.915 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.94 -42.67 38.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 90' ' ' THR . 52.3 m -63.67 -36.13 82.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' VAL . 14.6 t80 -52.57 -37.48 58.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE1' ' SD ' ' A' ' 84' ' ' MET . 76.5 m-85 -60.04 -39.2 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 -49.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 86' ' ' SER . 53.3 p -49.76 -49.86 46.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 29.3 m-80 -139.04 107.81 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 96' ' ' ILE . 22.2 m -85.47 -35.07 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.0 mt-10 -46.65 -54.42 19.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.5 Cg_endo -74.95 -43.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 88' ' ' PHE . . . -57.4 -21.15 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.476 HD13 HG13 ' A' ' 11' ' ' ILE . 3.5 mt -78.94 -63.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.444 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -43.05 -59.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -50.32 -49.09 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.9 t -50.38 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.345 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 1.031 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -46.29 -36.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -69.75 -77.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 5.6 t80 -43.29 -27.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.625 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 11.8 t80 -61.98 -60.5 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 54' ' ' THR . 1.8 mt -56.57 -18.48 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 4.6 m-85 -90.73 -39.6 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.841 ' ND1' HG21 ' A' ' 31' ' ' THR . 0.4 OUTLIER -78.4 1.51 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.601 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CD2' ' NE2' ' A' ' 106' ' ' HIS . 2.1 m-85 -129.19 -41.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 109' ' ' PHE . . . 109.01 105.56 2.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 3.8 m-85 -176.35 -42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.975 HD21 HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -64.48 133.89 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -86.96 138.83 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -169.06 178.45 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.3 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -48.17 174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.11 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.88 -168.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.538 ' O ' ' C ' ' A' ' 118' ' ' ILE . 7.9 pt20 -135.49 -57.94 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER 29.22 -98.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 123' ' ' TYR . 6.4 mm -58.91 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 0.4 OUTLIER -41.09 -30.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -54.21 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.27 -70.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' A' ' 119' ' ' ILE . 14.0 m-30 -39.78 -31.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 9.5 mm-40 -84.6 -42.2 15.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -53.37 -22.81 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD13 ' A' ' 74' ' ' LEU . 9.5 mt -97.16 -62.43 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.47 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -45.7 -25.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 131' ' ' ALA . 34.8 t0 -90.86 -59.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 125' ' ' THR . 56.7 m-20 -47.42 -37.27 11.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.915 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.6 tt -67.94 -37.44 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.66 -11.01 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.42 -29.08 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.511 ' N ' ' CD1' ' A' ' 133' ' ' TYR . 0.6 OUTLIER -90.54 -34.04 15.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 25' ' ' LEU . 68.0 mt -59.9 -70.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.25 95.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -98.22 36.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.524 0.202 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.29 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' OE1' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -177.45 158.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 2.6 p30 -172.42 132.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 5.6 t-20 84.12 -152.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 5' ' ' ASN . 22.8 mm -34.14 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.7 ' CD ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -35.66 -59.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.437 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 4.0 tt0 -49.47 -52.08 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 1.8 mt-30 -49.99 -40.7 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.6 mt -66.77 -61.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.537 HD12 ' NZ ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -39.48 -62.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -38.43 -68.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 50' ' ' ILE . 9.4 m-30 -43.73 -64.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t80 -57.94 -14.64 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.4 t-20 -76.07 -36.88 58.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.01 -3.43 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.908 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -105.38 -81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.597 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 58.9 m -154.07 114.24 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -119.68 -92.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' SER . 15.0 p 35.07 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' GLN . 67.0 m170 -111.62 -77.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.641 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.8 mm100 -36.19 -45.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -35.9 -43.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.58 -68.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD21 ' A' ' 134' ' ' LEU . 13.4 mt -56.17 -30.07 61.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.74 -26.54 60.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -70.49 -63.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.675 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -39.37 -30.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' PHE . 25.3 m -88.05 -60.27 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p -45.75 -47.69 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.975 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 1.9 m -76.47 54.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 174.97 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -92.21 30.17 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -122.52 -102.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.91 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -127.91 -158.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HB2' ' CD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -101.56 -31.21 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.552 ' OG ' HD11 ' A' ' 44' ' ' LEU . 43.5 t -82.89 7.26 15.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -103.84 -25.72 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 52.1 t -51.95 158.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -62.12 -57.05 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.908 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.9 p -38.24 136.77 0.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD11 ' OG ' ' A' ' 38' ' ' SER . 26.3 mt -82.64 -21.47 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.68 -57.61 13.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 42' ' ' VAL . 15.9 mm -48.19 -42.5 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -51.91 -27.23 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -75.72 -42.7 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.923 HD12 HG22 ' A' ' 100' ' ' VAL . 2.1 pt -82.51 5.12 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.596 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.9 mt -99.16 -24.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.71 37.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.35 -28.88 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 63' ' ' ILE . 4.3 p -103.98 20.85 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -62.21 -56.49 18.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.5 148.79 47.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 61' ' ' ILE . 15.2 pt-20 -65.02 -49.1 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 1.4 m-20 -49.04 -34.9 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ILE . 15.7 mm100 -66.12 -58.5 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 40.7 mt-30 -45.16 -44.59 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.7 mt -67.7 -63.0 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.3 mt-10 -49.68 -26.56 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.744 HG23 ' CD1' ' A' ' 101' ' ' ILE . 52.1 mt -72.32 -46.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -48.73 -52.44 23.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -43.34 80.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -52.7 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -52.47 -44.45 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 17.1 t -66.11 -49.0 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' VAL . 26.6 t30 -36.51 -39.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' THR . 8.9 t30 -88.59 -59.32 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -40.57 -52.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.87 -45.09 10.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.5 m -66.87 -34.25 77.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 mt -61.07 -15.19 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 m -79.6 52.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.2 t -170.36 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.576 HG21 ' HG3' ' A' ' 84' ' ' MET . 22.4 t 39.82 80.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.62 107.61 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.5 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 80' ' ' THR . 9.7 t -138.45 68.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.11 177.91 33.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.48 -67.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -57.4 152.85 13.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HG21 ' A' ' 77' ' ' VAL . 4.1 mpp? -76.03 1.19 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -81.25 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -23.35 62.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 3.6 t80 -87.72 47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 13.4 m-85 -153.68 -43.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -40.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 19.8 p -84.28 -59.59 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.503 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.7 t-20 -80.32 89.32 5.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.2 p -87.05 -48.66 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -37.56 -53.36 2.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.503 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.99 -48.68 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.11 -21.36 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.6 mt -78.59 -53.34 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.7 HD11 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.12 -45.14 77.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 123' ' ' TYR . 5.2 t80 -62.93 -36.1 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -59.42 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.923 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -53.3 -39.09 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.744 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -71.13 -55.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 56.0 t80 -38.82 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -53.66 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.3 mt -44.97 -51.77 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 2.8 m-85 -66.05 -47.18 75.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.664 ' CE1' ' O ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.551 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.975 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -170.19 60.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -119.44 -107.87 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 51' ' ' ILE . 6.5 m-85 -120.9 -31.95 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 63' ' ' ILE . 3.0 mt -49.83 152.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.445 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -157.07 147.41 21.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.605 ' CG ' HG21 ' A' ' 118' ' ' ILE . 40.1 t0 -167.34 75.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 112' ' ' ASP . 47.9 m-20 52.89 101.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 48.73 -168.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.97 165.71 23.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.13 39.58 30.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -137.41 -46.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER -101.06 -138.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.721 ' N ' HG23 ' A' ' 118' ' ' ILE . 7.0 mm -38.79 -58.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -39.14 -45.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.68 -62.21 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 125' ' ' THR . . . -51.54 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.676 ' CD1' HG22 ' A' ' 119' ' ' ILE . 5.8 m-85 -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -82.19 -39.94 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -50.04 -32.97 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 74' ' ' LEU . 6.1 mt -85.47 -61.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.95 -28.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.6 m-20 -82.7 -64.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER -49.96 -51.68 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -53.81 -20.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -90.55 22.54 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 129' ' ' ASN . 0.9 OUTLIER -89.5 -55.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -19.6 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 25' ' ' LEU . 31.6 mt -56.01 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 66.07 79.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 40.36 60.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.477 0.18 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.72 138.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.77 142.81 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' ' 5' ' ' ASN . 2.5 m120 -154.78 -92.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.498 ' O ' ' C ' ' A' ' 6' ' ' ILE . 40.2 p-10 174.25 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.498 ' C ' ' O ' ' A' ' 5' ' ' ASN . 2.1 mm -31.95 -50.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -47.17 -63.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -48.74 -43.97 38.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.73 -41.39 81.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' C ' ' CE2' ' A' ' 14' ' ' PHE . 17.8 mt -53.23 -57.54 10.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -41.65 -55.66 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -40.24 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 50' ' ' ILE . 11.5 m-30 -31.82 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 1.01 ' CE1' HG21 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -32.67 -51.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' PHE . 3.5 t30 -39.31 -45.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 15.4 mt-30 -81.08 46.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -157.55 -74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.575 ' CB ' HG23 ' A' ' 42' ' ' VAL . 52.3 t -162.74 83.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -83.65 -69.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.9 p 37.99 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.4 m-70 -137.49 -99.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.655 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -35.01 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' HIS . 31.4 mm-40 -39.4 -38.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' HD23 ' A' ' 25' ' ' LEU . 12.7 ptt-85 -54.36 -47.47 72.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.642 ' HA ' HD11 ' A' ' 28' ' ' ILE . 16.0 mt -62.3 -26.98 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.84 -9.1 52.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -89.83 -57.92 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -38.97 -30.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 4.8 t -90.36 -61.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -46.75 -55.72 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 35.8 m -42.03 -49.53 4.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 26.92 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -159.54 45.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -128.78 -99.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -170.66 -54.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' PHE . 3.1 t -137.31 -169.69 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 4.4 m-85 -91.4 -46.41 8.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.777 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -62.62 -12.63 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 36' ' ' THR . 3.3 m -78.78 -45.97 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -40.81 159.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 36.2 t0 -78.52 75.28 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 47' ' ' ILE . 5.4 p -175.56 135.01 0.48 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.04 148.33 34.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 38' ' ' SER . 35.3 mt -82.31 -34.76 28.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -40.52 -57.34 3.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 42' ' ' VAL . 10.4 mm -48.62 -34.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.85 -21.01 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' PRO . 10.7 t-20 -83.2 -40.06 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.797 HG22 ' HB3' ' A' ' 13' ' ' PHE . 3.7 pt -76.98 -4.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.571 ' CD1' HG22 ' A' ' 47' ' ' ILE . 3.7 mt -89.69 -33.27 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -68.79 -24.57 64.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -55.03 -23.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -113.99 15.71 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 23.3 mmtt -95.78 31.82 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -140.43 134.75 31.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.1 tt0 -42.34 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 12.6 p-10 -38.67 -48.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 20.8 mm-40 -51.34 -50.8 58.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.6 mt-30 -55.19 -50.66 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.81 -53.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.3 mt-10 -54.57 -38.46 66.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.876 HG21 HD21 ' A' ' 110' ' ' LEU . 21.7 mt -59.36 -52.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.14 -60.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -60.61 -47.45 86.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.3 mt -48.61 -42.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.55 HG12 ' HG3' ' A' ' 72' ' ' LYS . 47.9 t -64.35 -43.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 65.4 t30 -39.68 -31.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.3 t30 -92.7 -58.46 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -44.5 -52.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -40.07 -42.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.0 m -89.13 -33.96 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 HG21 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -61.93 -17.15 55.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 35.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.21 -66.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.181 HG11 ' CD2' ' A' ' 87' ' ' PHE . 0.9 OUTLIER 40.49 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.21 -98.49 1.23 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.04 -72.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.5 p -130.13 169.28 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.7 177.05 1.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 87' ' ' PHE . 8.7 mm100 61.26 89.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 82' ' ' GLN . 61.3 m-85 -47.3 176.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -78.94 4.37 14.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -92.77 -46.17 7.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -51.33 -44.65 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 1.181 ' CD2' HG11 ' A' ' 77' ' ' VAL . 4.3 m-30 -47.9 -38.84 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -60.73 -21.45 62.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -61.37 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.9 p -80.85 -45.67 16.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.2 m-20 -87.35 76.98 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 96' ' ' ILE . 4.0 m -90.41 -50.84 5.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -47.06 -48.29 53.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.03 -46.9 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.48 -23.55 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.573 HG22 HD12 ' A' ' 97' ' ' ILE . 1.7 mt -71.91 -59.68 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.598 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -51.24 -50.65 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.71 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 1.6 t80 -58.3 -50.75 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . 43.3 t -41.38 -63.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 1.01 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -47.42 -58.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 63' ' ' ILE . 22.9 mm -42.94 -50.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -57.55 -53.37 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 107' ' ' PHE . 4.6 t80 -51.14 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 100' ' ' VAL . 7.5 mt -44.14 -49.0 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 2.0 m-85 -59.49 -43.68 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.8 OUTLIER -79.96 -2.76 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -110.87 -2.07 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.81 90.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -161.43 -60.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG21 ' A' ' 63' ' ' ILE . 1.6 mt -58.5 151.01 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 119.64 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 105' ' ' TYR . 3.4 m-20 -160.61 -174.35 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.4 t30 65.44 97.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -147.52 -49.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -157.04 139.07 14.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.89 -177.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 121' ' ' LYS . 1.4 pt20 -61.55 137.03 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -112.58 174.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.576 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 24.6 mm -40.51 -61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.0 -48.17 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.464 ' CG ' ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -49.54 -42.2 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.636 ' O ' HG22 ' A' ' 125' ' ' THR . . . -78.96 -63.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.729 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.6 m-85 -42.54 -34.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.62 -38.42 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.85 -31.46 39.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 130' ' ' ILE . 8.3 mt -86.52 -60.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.51 -27.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.0 t70 -85.44 -63.01 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 41.6 t-20 -49.58 -47.05 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -56.5 -23.05 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -85.49 6.86 25.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 29.4 t0 -76.96 -56.74 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -15.69 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 131' ' ' ALA . 12.0 mt -57.82 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' GLU . 0.6 OUTLIER 67.9 89.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 135' ' ' ASN . 0.6 OUTLIER 38.37 68.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.551 0.215 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -148.51 101.01 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 49.1 tp60 -86.88 -90.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 4.9 m-20 156.1 133.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 6' ' ' ILE . 6.7 t-20 75.61 -149.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' C ' ' O ' ' A' ' 5' ' ' ASN . 6.1 mm -33.59 -69.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.739 ' HZ2' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -39.02 -60.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 4' ' ' ASN . 8.9 tp10 -45.27 -46.39 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.45 -38.62 90.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.93 -48.8 78.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -48.9 -62.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.6 m -37.73 -41.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 4.2 m-30 -78.91 140.75 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' SG ' ' A' ' 99' ' ' CYS . 2.4 t80 75.99 -48.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.01 -33.66 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.47 5.21 40.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.72 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' OE2' ' A' ' 23' ' ' GLU . 5.4 p -50.67 174.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.23 -85.94 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -46.56 167.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -86.47 -29.17 22.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -80.55 -4.32 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -38.99 -39.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 3.2 mpt_? -68.04 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.8 mt -46.38 -28.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -39.93 18.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.5 t80 -57.93 -65.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -36.18 -33.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -80.1 -73.43 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -34.52 -36.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.646 HG23 ' ND1' ' A' ' 106' ' ' HIS . 12.2 m -46.42 -44.54 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -116.85 32.12 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -172.01 73.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 t -151.93 -98.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.28 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.511 HG22 ' CB ' ' A' ' 39' ' ' SER . 4.0 t -140.27 -173.28 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.18 -43.46 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.46 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.1 t -72.8 -2.22 19.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.511 ' CB ' HG22 ' A' ' 36' ' ' THR . 1.5 m -93.09 -35.98 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -40.62 152.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -45.89 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.654 ' CG1' ' CE1' ' A' ' 103' ' ' PHE . 4.9 p -50.23 128.36 23.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.96 151.64 39.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 13.7 mt -81.45 -30.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -42.79 -57.54 4.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.819 HG21 ' CE2' ' A' ' 103' ' ' PHE . 16.3 mm -50.86 -35.94 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -64.54 -21.01 66.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -87.02 -26.15 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -88.66 -25.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 ' HA ' HD21 ' A' ' 104' ' ' LEU . 3.0 mt -60.71 -23.22 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.06 -25.26 63.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.599 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.5 tp -53.13 -32.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.741 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -107.96 28.58 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -55.64 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.12 -177.68 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.3 mm-40 -80.36 -50.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.4 m120 -37.06 -33.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 18.4 mm100 -74.66 -64.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.56 -38.9 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.6 mp -61.26 -65.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -55.73 -36.93 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 110' ' ' LEU . 63.7 mt -58.31 -52.2 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.79 -59.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.22 76.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -44.45 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.61 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 64' ' ' THR . 41.7 t -64.98 -49.63 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -41.14 -31.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.92 -54.54 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.592 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -46.9 -50.26 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.89 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.6 m -61.19 -41.25 96.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 126' ' ' ILE . 0.6 OUTLIER -40.12 -34.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.97 62.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.17 -39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' SER . 41.8 t -36.65 111.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.04 47.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.18 -67.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -103.44 55.09 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.05 -124.43 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -178.84 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.783 ' CE1' ' CD1' ' A' ' 133' ' ' TYR . 1.5 m-85 -108.92 159.15 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.07 -31.62 19.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -51.11 -55.44 17.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.9 p -48.89 -26.92 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -83.95 47.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -140.82 -43.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 t -45.81 -51.86 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -92.9 -42.61 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -89.35 78.38 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 29.8 p -90.53 -52.23 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.5 mt-10 -46.84 -47.56 52.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.99 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASN . . . -59.25 -19.31 44.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -77.56 -51.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.739 HD11 ' HZ2' ' A' ' 7' ' ' LYS . 1.5 mp -57.21 -39.73 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.669 ' CE1' ' CZ ' ' A' ' 123' ' ' TYR . 5.2 t80 -70.36 -35.37 73.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.583 ' SG ' ' CE1' ' A' ' 14' ' ' PHE . 7.5 t -57.43 -58.22 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -54.08 -48.38 64.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.872 ' CD1' HG23 ' A' ' 63' ' ' ILE . 4.0 mm -58.88 -52.54 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -34.99 -66.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.4 t80 -55.65 -60.95 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 51' ' ' ILE . 10.2 mt -34.98 -35.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.585 ' CE2' HD13 ' A' ' 110' ' ' LEU . 3.5 m-85 -90.35 -48.26 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.746 ' CE1' ' HB2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -37.14 -58.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.746 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 17.2 m-85 -167.76 49.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.19 3.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.457 ' CE1' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -129.21 -26.03 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -48.57 140.19 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -150.28 161.63 42.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 112' ' ' ASP . 12.4 t0 -162.21 111.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -108.75 140.81 41.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.68 -55.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.58 176.87 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 51.51 95.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 tp -120.26 168.65 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 105' ' ' TYR . 13.5 mm -42.57 -66.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -43.52 -44.8 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -51.49 67.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.782 ' O ' HG22 ' A' ' 125' ' ' THR . . . -65.25 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.669 ' CZ ' ' CE1' ' A' ' 98' ' ' PHE . 6.3 m-85 -41.28 -32.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.44 -41.42 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 122' ' ' ALA . 2.5 t -51.16 -27.38 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.817 HD12 HD13 ' A' ' 74' ' ' LEU . 7.6 mt -92.69 -60.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -38.95 -30.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -85.1 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 33.0 t30 -51.27 -47.91 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -55.67 -31.18 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -75.93 -2.48 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.4 t0 -74.63 -27.26 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 83' ' ' TYR . 5.7 m-85 -97.69 -28.29 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.582 HD21 HD13 ' A' ' 25' ' ' LEU . 33.6 mt -68.87 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -91.04 49.78 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.63 36.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.53 ' HG3' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 169.87 121.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 55.23 -178.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 58.44 161.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 59.6 m-20 -136.66 -61.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.2 mm -56.56 -80.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.61 -39.91 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' OE2' ' CB ' ' A' ' 1' ' ' MET . 5.8 tp10 -61.32 -42.15 98.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 5' ' ' ASN . 4.2 mm-40 -57.01 -35.12 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.76 -42.98 85.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.801 HG13 HD13 ' A' ' 96' ' ' ILE . 1.1 mp -50.53 -68.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.631 ' N ' HG22 ' A' ' 11' ' ' ILE . 13.4 t -41.47 -58.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.4 m-30 -45.53 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.6 t80 -45.56 -41.02 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 34.3 t-20 -58.2 -33.25 69.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.7 mm100 -73.86 -3.86 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -99.23 -73.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.87 -164.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.43 -81.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -41.51 157.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.441 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -81.53 -35.7 30.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.11 14.11 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.22 -41.12 71.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 1.5 ptm85 -61.3 -31.46 71.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.669 ' HA ' HD11 ' A' ' 28' ' ' ILE . 6.1 mt -70.51 -40.83 73.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -10.8 59.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 103' ' ' PHE . 55.2 t80 -88.96 -61.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.48 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -83.05 -69.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -44.4 -49.86 9.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.002 HG21 ' CG ' ' A' ' 106' ' ' HIS . 24.5 m -37.74 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -135.8 31.94 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -149.19 35.36 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -132.43 -104.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 38' ' ' SER . 14.7 t -113.95 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -122.68 0.56 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.51 ' H ' HG23 ' A' ' 36' ' ' THR . 22.6 t -96.52 -5.03 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' C ' ' A' ' 40' ' ' VAL . 38.0 t -108.58 -73.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 41' ' ' ASP . 80.3 t 22.95 -109.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.712 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.7 t70 -151.56 32.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.1 p -158.19 131.88 4.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 150.91 38.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' O ' ' A' ' 37' ' ' PHE . 12.7 mt -81.18 -29.23 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -44.2 -58.69 4.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.04 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 51' ' ' ILE . 17.9 mm -46.99 -49.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -48.86 -26.02 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.6 t-20 -77.86 -39.14 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.002 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -83.25 0.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.649 ' CD1' HG22 ' A' ' 47' ' ' ILE . 17.7 mt -94.55 -26.38 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 41.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 HG23 HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -109.93 -34.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.743 HG22 ' CD1' ' A' ' 63' ' ' ILE . 2.2 p -95.17 29.49 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -67.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.29 163.76 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -79.46 -27.57 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 83.1 m-20 -61.04 -45.07 96.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -62.73 -54.14 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -43.96 -41.32 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 62' ' ' GLU . 4.9 mt -62.87 -74.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 66' ' ' ILE . 33.2 mt-10 -37.84 -56.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.862 ' CG2' HD11 ' A' ' 110' ' ' LEU . 94.1 mt -40.91 -65.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -34.71 -35.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ILE . 7.5 mttt -83.62 -48.62 10.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -50.24 -27.33 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -80.45 -47.34 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 64' ' ' THR . 33.8 t -62.57 -54.54 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -41.08 -31.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.3 m-20 -84.38 -45.12 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -59.83 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -54.07 -26.89 29.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -88.71 -33.32 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 84' ' ' MET . 2.3 mt -63.26 -12.99 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 52.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.14 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 78' ' ' GLY . 2.5 t 55.38 168.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -56.19 134.17 50.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.26 6.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 p -67.3 77.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.04 98.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.37 88.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.07 172.9 10.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 74' ' ' LEU . 6.8 tpt -56.46 -23.5 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.994 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.06 -45.76 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -43.36 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.15 53.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.908 ' CE2' ' HB1' ' A' ' 95' ' ' ALA . 44.0 t80 -152.66 -43.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -67.84 -39.56 83.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -59.71 -62.37 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.507 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 84.1 m-20 -106.25 117.31 33.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.71 -40.43 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.6 mp0 -42.15 -50.94 10.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.908 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -51.02 -28.33 9.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.801 HD13 HG13 ' A' ' 11' ' ' ILE . 4.8 mt -71.78 -57.46 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -55.32 -51.78 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -45.4 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -41.03 -64.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 1.002 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -40.23 -49.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 66' ' ' ILE . 9.1 mm -63.56 -56.2 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -50.81 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 m-30 -36.14 -53.78 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 65.9 mt -48.16 -53.73 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.6 m-85 -66.03 -48.0 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 1.002 ' CG ' HG21 ' A' ' 31' ' ' THR . 0.2 OUTLIER -46.58 -50.73 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 33.4 m-85 -79.65 -62.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.92 92.61 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -148.36 -63.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.862 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -53.11 143.5 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 123.59 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.95 91.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -128.25 127.85 43.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 t30 175.14 141.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -82.47 55.94 3.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -159.83 168.58 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.28 98.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -104.28 -171.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.666 HD11 HG22 ' A' ' 68' ' ' VAL . 14.4 mm -52.69 -74.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -40.84 -41.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -56.6 -50.16 72.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.749 ' O ' HG22 ' A' ' 125' ' ' THR . . . -70.75 -62.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.0 m-85 -38.84 -48.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.65 -37.8 85.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -53.59 -28.11 30.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.447 ' C ' ' N ' ' A' ' 128' ' ' ASP . 10.1 mt -90.89 -62.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.89 -28.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.7 m-20 -83.3 -53.16 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.994 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -58.23 -21.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.68 2.86 47.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.48 -28.4 22.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -99.09 -12.95 20.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 131' ' ' ALA . 9.8 mt -53.28 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 61.08 74.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.15 52.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.976 ' HE3' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.535 0.207 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.642 ' HB3' HG21 ' A' ' 6' ' ' ILE . 1.0 OUTLIER 171.19 108.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -38.52 158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 6.1 t-20 90.51 166.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' ASN . 4.7 m120 -39.13 -31.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 2' ' ' GLU . 1.5 mp -40.49 -72.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -32.77 -68.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -45.9 -46.51 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -61.2 -41.71 97.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.921 HD12 ' HB2' ' A' ' 1' ' ' MET . 17.4 mt -62.57 -52.46 63.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.805 HG13 HG21 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -38.86 -52.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -54.08 -62.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' ND2' ' A' ' 49' ' ' ASN . 3.5 m-30 -39.74 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 100' ' ' VAL . 34.2 t80 -45.1 -26.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t30 -68.65 -40.25 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -71.21 -13.48 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . . . -80.52 -71.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 27' ' ' PHE . 2.0 t -51.45 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.81 -85.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 p -93.95 -162.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.71 -54.77 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.64 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.18 -43.92 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -54.33 32.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -62.92 -17.63 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.94 -27.39 33.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 m-30 -73.09 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.3 pt -38.33 -30.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.37 -52.1 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.8 t -57.61 -62.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 27' ' ' PHE . 20.1 m -38.81 -60.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -36.21 61.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' SER . 2.0 mm-40 -97.88 33.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -154.6 83.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -27.18 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.463 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 14.7 t -95.06 -169.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.68 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -125.58 -1.17 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -99.41 -0.52 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -13.86 21.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 41' ' ' ASP . 48.6 t -74.66 160.63 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.2 t70 -70.33 -53.73 15.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 4.6 p -41.49 138.67 1.57 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 148.51 35.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD21 ' O ' ' A' ' 37' ' ' PHE . 31.5 mt -81.86 -39.59 23.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.2 mt-10 -36.36 -57.14 1.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.97 -52.47 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 42' ' ' VAL . 7.9 mm -44.7 -54.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.0 mttt -44.49 -26.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CE2' ' A' ' 13' ' ' PHE . 23.7 t-20 -75.71 -44.79 40.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 HD12 HG22 ' A' ' 100' ' ' VAL . 2.7 pt -78.36 0.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 48' ' ' LYS . 46.6 mt -90.3 -31.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.15 46.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 54' ' ' THR . 0.4 OUTLIER -131.55 -48.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.536 HG23 ' CG2' ' A' ' 53' ' ' ILE . 18.1 p -86.44 13.12 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.42 -64.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.83 134.9 20.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -62.31 -28.73 69.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -19.58 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -43.37 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -59.28 -35.32 73.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 64' ' ' THR . 8.8 mt -65.74 -64.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' OE2' ' OE2' ' A' ' 2' ' ' GLU . 11.6 pt-20 -54.12 -33.09 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.902 HG21 HD11 ' A' ' 110' ' ' LEU . 31.9 mt -63.02 -45.94 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -50.53 -54.18 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.19 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -62.21 -48.78 86.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -52.45 -44.15 65.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 64' ' ' THR . 29.2 t -59.99 -42.57 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -44.83 -67.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' ND2' ' H ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -58.94 -50.97 72.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 72' ' ' LYS . 1.2 mm -46.02 -68.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.604 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -40.06 -40.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 75' ' ' SER . 5.0 m -67.2 -46.82 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.958 HD13 HD12 ' A' ' 126' ' ' ILE . 3.6 mt -43.01 -27.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -68.34 64.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -169.6 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' PHE . 40.9 t -40.72 105.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.15 -133.48 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.16 -53.46 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -132.03 26.26 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.5 100.98 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -128.43 -70.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -134.56 132.83 39.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.564 ' HA ' HG11 ' A' ' 77' ' ' VAL . 4.6 mmt -105.11 -5.4 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.898 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -75.54 -43.06 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -54.88 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.721 ' CD2' HG13 ' A' ' 77' ' ' VAL . 3.5 m-30 -56.48 -101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ASN . 53.2 t80 46.45 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -40.1 -50.5 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.6 p -51.84 -41.12 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 31.9 p-10 -144.08 94.39 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.609 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -81.48 -44.19 17.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 5.6 mm-40 -35.42 -55.07 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.1 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -49.91 -27.86 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.805 HG21 HG13 ' A' ' 11' ' ' ILE . 1.7 mt -74.02 -65.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.485 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 1.4 mp -45.0 -30.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.34 -41.08 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 96' ' ' ILE . 2.3 t -70.14 -62.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.976 HG21 ' HE3' ' A' ' 1' ' ' MET . 2.2 t -44.26 -71.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.581 ' N ' HG12 ' A' ' 100' ' ' VAL . 7.1 mm -37.62 -64.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.615 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 22.7 t80 -45.17 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.489 ' N ' ' CD2' ' A' ' 102' ' ' TYR . 50.1 t80 -36.21 -43.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 108' ' ' GLY . 33.6 mt -67.47 -76.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.77 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -35.48 -61.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.615 ' CE1' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -38.13 -62.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 m-85 -161.82 79.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -149.44 -103.98 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CG ' HG23 ' A' ' 51' ' ' ILE . 4.0 m-85 -124.93 -38.73 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 111.038 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.902 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -49.77 139.06 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 116.73 8.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -108.92 123.35 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -169.34 91.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -166.41 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -101.49 -49.83 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.82 172.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -111.64 26.17 10.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -48.09 -29.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.791 HD13 ' N ' ' A' ' 119' ' ' ILE . 1.4 mm -58.53 -29.95 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -29.85 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.07 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.55 -67.33 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.748 ' CE2' HG22 ' A' ' 119' ' ' ILE . 3.2 m-85 -42.42 -37.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -71.67 -38.87 70.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -54.47 -28.94 48.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.958 HD12 HD13 ' A' ' 74' ' ' LEU . 7.3 mt -91.77 -61.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.412 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -46.28 -25.65 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 126' ' ' ILE . 43.2 t0 -83.87 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -50.13 -46.15 53.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.898 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -60.33 -27.66 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -89.88 4.91 48.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -84.37 -41.14 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 133' ' ' TYR . 0.7 OUTLIER -91.97 -1.71 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 25' ' ' LEU . 8.1 mt -65.47 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.35 91.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.428 ' OE2' HD13 ' A' ' 134' ' ' LEU . 1.8 pt-20 -153.17 36.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.518 0.199 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.8 OUTLIER 64.94 75.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.917 HE21 ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER 163.94 171.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' N ' ' HB2' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 177.06 142.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.523 ' O ' ' C ' ' A' ' 6' ' ' ILE . 5.4 t30 67.98 -157.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' C ' ' O ' ' A' ' 5' ' ' ASN . 4.3 mm -30.83 -66.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HE2' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -37.0 -56.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.917 ' HG3' HE21 ' A' ' 3' ' ' GLN . 42.8 tt0 -53.22 -53.38 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -46.81 -46.58 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.936 HD22 ' CD1' ' A' ' 53' ' ' ILE . 12.8 mt -61.87 -45.96 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.835 HG12 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -61.97 -59.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -29.9 -57.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -49.27 -64.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 27.2 t80 -60.54 -24.93 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 4.8 t-20 -57.36 -37.2 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 3.3 pt20 -85.37 37.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -144.23 -77.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -126.0 124.32 40.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.323 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.3 p -128.38 -47.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 23' ' ' GLU . 77.8 p -36.88 149.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 11.0 m-70 -83.76 -61.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -43.43 -26.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' OG1' ' A' ' 20' ' ' THR . 12.8 tp10 -64.73 -48.86 73.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -45.98 -54.84 7.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' CD2' ' A' ' 134' ' ' LEU . 7.0 mt -58.59 -36.9 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -9.62 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -85.56 -64.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -38.52 -30.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.42 -63.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' HG13 ' A' ' 40' ' ' VAL . 2.9 m -49.2 -56.41 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.53 HG21 ' CE2' ' A' ' 102' ' ' TYR . 3.0 m -36.96 -40.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.462 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 41.86 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -169.02 58.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -147.17 -102.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.64 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' OG ' ' A' ' 39' ' ' SER . 13.8 t -124.57 -145.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.653 ' N ' HG23 ' A' ' 36' ' ' THR . 3.7 m-85 -107.37 -44.26 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 44' ' ' LEU . 21.2 t -76.56 0.85 18.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 36' ' ' THR . 72.9 m -87.97 -21.56 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 41' ' ' ASP . 59.7 t -60.02 -115.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' N ' HG12 ' A' ' 40' ' ' VAL . 4.7 t0 -142.09 -56.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.8 p -54.06 134.79 58.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 149.81 37.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.3 mt -81.28 -32.82 33.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -41.37 -58.55 2.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.843 HD13 ' CD1' ' A' ' 50' ' ' ILE . 3.6 mm -45.3 -50.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -26.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' PRO . 16.2 t-20 -78.24 -44.3 25.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.87 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -74.8 -6.97 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -85.1 -28.21 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -15.68 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.936 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -53.11 -31.55 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.997 HG22 ' CD1' ' A' ' 63' ' ' ILE . 30.9 p -100.81 -89.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' N ' ' OG1' ' A' ' 54' ' ' THR . 29.4 mmmt 40.92 44.87 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.56 166.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.4 pm0 -83.65 -33.75 25.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -52.8 -54.86 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' CB ' ' HA ' ' A' ' 54' ' ' THR . 24.3 mm-40 -64.63 -47.1 79.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 111' ' ' LYS . 13.5 tt0 -53.02 -39.82 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.96 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -28.17 65.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.997 ' CD1' HG22 ' A' ' 54' ' ' THR . 44.7 mt -69.61 -43.22 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -52.7 -56.86 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.63 74.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -47.95 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -58.05 -43.12 86.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 119' ' ' ILE . 44.0 t -60.46 -40.13 83.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -45.52 -26.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' VAL . 7.8 m-80 -99.94 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -53.42 -46.18 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -31.96 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.65 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 126' ' ' ILE . 2.0 mt -54.75 -31.35 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 98.1 p -73.61 58.49 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.509 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -170.4 -37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 74' ' ' LEU . 22.8 t -32.44 98.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' HB3' ' A' ' 79' ' ' ALA . . . -134.07 -135.75 3.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 78' ' ' GLY . . . 85.12 -47.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.7 t -146.68 50.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -95.51 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.463 ' O ' HG12 ' A' ' 77' ' ' VAL . 3.6 mt-30 -152.35 -77.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.596 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 7.2 m-85 35.42 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.698 ' HE1' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -74.53 -31.27 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.0 -45.34 71.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -69.95 -22.8 63.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' A' ' 77' ' ' VAL . 2.1 t80 -90.25 44.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 84' ' ' MET . 5.4 m-85 -130.95 -41.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 t -46.0 -46.87 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 30.0 p -68.92 -67.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 4.5 m-20 -84.82 97.2 9.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.621 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -89.14 -44.57 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 9.0 mt-10 -42.35 -48.74 12.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.04 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.09 -35.35 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.835 HG21 HG12 ' A' ' 11' ' ' ILE . 2.7 mt -67.53 -53.29 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.651 HD11 ' HE2' ' A' ' 7' ' ' LYS . 1.5 mp -60.94 -43.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CZ ' ' HE1' ' A' ' 84' ' ' MET . 1.1 m-85 -43.6 -63.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.69 -53.66 14.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 50' ' ' ILE . 2.0 t -50.54 -76.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.696 ' N ' HG12 ' A' ' 100' ' ' VAL . 2.9 mm -44.4 -62.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.762 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 92.5 t80 -31.82 -59.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.4 -47.73 80.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 22.7 mt -48.97 -34.6 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.8 m-85 -87.98 -60.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.762 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 1.1 m-70 -39.12 -58.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 51.7 m-85 -162.78 77.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.72 -106.54 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 7.7 m-85 -127.35 -35.0 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 ' CG2' ' A' ' 63' ' ' ILE . 4.1 mt -48.7 156.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 22.7 mttt -149.53 134.45 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.529 ' HB3' HG21 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -170.43 102.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 171.69 123.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -176.65 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -89.96 -71.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 -171.59 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -40.71 136.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -142.06 -159.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.969 HD11 HG22 ' A' ' 68' ' ' VAL . 7.5 mm -48.92 -70.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ILE . 11.0 ttpp -38.02 -44.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -51.99 54.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.71 -65.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.733 ' CD2' HG22 ' A' ' 119' ' ' ILE . 1.7 m-85 -38.02 -49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.46 -38.22 77.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -52.96 -29.51 29.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 74' ' ' LEU . 3.9 mt -92.93 -55.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.74 -27.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.4 t0 -89.27 -60.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -51.41 -35.3 38.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 28' ' ' ILE . 1.5 tt -65.96 -23.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -75.57 2.08 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.6 -49.43 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' A' ' 83' ' ' TYR . 6.3 p90 -108.54 37.79 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.95 ' CD2' HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.17 -81.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -178.5 93.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.18 67.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.43 ' H1 ' HG21 ' A' ' 11' ' ' ILE . 2.8 tpt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.524 0.202 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -165.17 72.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.05 -161.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 2.8 m-20 -167.55 145.81 4.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 4.1 m-20 83.72 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -36.63 -68.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.4 -53.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.16 -49.43 75.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -53.94 -46.6 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.68 -41.98 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.4 mp -62.02 -64.1 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -38.02 -48.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.891 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.3 m-85 -57.02 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -44.21 -29.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.55 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 t30 -59.98 -34.66 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.0 mm-40 -71.93 -7.42 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.694 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -98.27 -81.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.613 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 28.6 p -96.53 145.66 25.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 99.1 p -132.79 -45.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 5.1 p -37.22 152.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -40.75 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASP . 3.2 mm-40 -78.76 3.23 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -26.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.17 -64.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.569 HD11 ' HB1' ' A' ' 85' ' ' ALA . 14.3 mt -54.86 -22.36 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 30' ' ' SER . 69.2 m-20 -85.49 -22.71 28.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.778 ' CD1' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -76.45 -48.04 20.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.633 HG23 ' CE2' ' A' ' 27' ' ' PHE . 4.6 pt -52.23 -31.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.48 -59.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 72.7 m -48.07 -50.64 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.556 HG21 ' HE1' ' A' ' 102' ' ' TYR . 57.6 m -63.31 -8.38 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -138.39 31.01 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 tt0 -171.28 74.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 t -158.31 -104.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.34 -54.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 38' ' ' SER . 13.3 t -126.54 -163.75 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 26.3 m-85 -99.4 -23.49 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.646 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -86.99 6.02 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -102.11 -33.06 9.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.065 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 41' ' ' ASP . 56.8 t -44.75 165.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.7 t70 -79.92 63.71 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.694 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.0 p -174.82 132.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.98 143.07 28.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 38.1 mt -82.09 -15.13 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -58.26 -58.92 15.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.98 -43.76 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.529 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.4 mm -51.42 -40.65 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -59.79 -16.56 29.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 t30 -88.49 -33.88 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.53 -14.74 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 47' ' ' ILE . 11.9 mt -79.12 -23.06 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 4.8 pt-20 -66.36 -19.14 65.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -51.04 -28.98 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 1.029 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.4 p -105.39 23.39 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -58.59 -57.31 13.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.02 154.7 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.29 -32.89 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.6 -33.15 69.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 85.7 mm-40 -64.87 -55.63 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -43.61 -48.2 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 64' ' ' THR . 2.5 mt -56.17 -74.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 66' ' ' ILE . 2.2 mm-40 -37.74 -57.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.029 ' CD1' HG22 ' A' ' 54' ' ' THR . 90.0 mt -40.24 -63.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -35.04 -36.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.59 -47.05 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -53.57 -25.74 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.778 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -79.33 -48.18 14.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.954 HG22 HD11 ' A' ' 119' ' ' ILE . 47.3 t -59.22 -48.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.3 t-20 -39.26 -42.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' THR . 62.0 t30 -81.91 -57.5 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.642 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -42.94 -54.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.58 -43.34 17.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -68.32 -33.59 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.964 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -58.43 -17.5 21.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.1 m -86.06 46.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.08 -67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.912 HG21 ' SD ' ' A' ' 84' ' ' MET . 3.8 t 41.19 85.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.08 -95.79 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.27 -65.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -159.48 161.39 35.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.29 73.87 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.29 87.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 133' ' ' TYR . 19.0 m-85 -38.46 148.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 77' ' ' VAL . 17.5 mmt -73.48 -3.96 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.926 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -73.7 -45.01 54.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . 32.1 t -60.64 -52.35 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.545 ' CD1' HG13 ' A' ' 77' ' ' VAL . 9.5 t80 -45.23 -45.13 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.1 m-85 -65.69 -25.69 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.4 t -76.74 -51.28 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.0 p -50.78 -44.0 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 40.5 m-80 -121.36 100.91 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.694 ' O ' HD12 ' A' ' 96' ' ' ILE . 38.4 m -87.48 -13.44 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -69.0 -51.75 17.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -39.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.71 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 92' ' ' SER . 13.0 mt -67.48 -62.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -46.27 -50.88 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.721 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -65.17 -23.71 67.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -60.99 -40.98 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.887 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -72.35 -36.42 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 66' ' ' ILE . 36.4 mm -54.38 -69.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.778 ' CZ ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -44.29 -49.97 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.673 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 1.9 t80 -44.06 -65.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' PHE . 5.0 mt -44.0 -56.73 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.625 ' CE2' HD13 ' A' ' 110' ' ' LEU . 15.4 m-85 -54.84 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.52 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 14.9 m80 -47.66 -43.61 26.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 37' ' ' PHE . 11.1 m-85 -86.63 24.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 39.64 73.29 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -138.36 -47.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.837 HD11 ' CG2' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -69.81 132.36 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -77.81 156.15 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -170.06 125.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.639 ' O ' HD13 ' A' ' 118' ' ' ILE . 9.5 t30 -86.14 167.93 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 2.0 t-20 80.39 -62.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.93 60.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 118' ' ' ILE . 2.9 tttp -175.32 132.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 116' ' ' LYS . 27.3 pt20 37.54 31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -89.41 -165.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.954 HD11 HG22 ' A' ' 68' ' ' VAL . 8.2 mm -52.27 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -40.2 -34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -70.99 -51.22 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -55.16 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.721 ' CD1' ' CE1' ' A' ' 98' ' ' PHE . 6.7 m-85 -41.18 -44.97 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -37.32 84.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.06 -31.98 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.964 HD12 HD13 ' A' ' 74' ' ' LEU . 8.9 mt -87.6 -60.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 131' ' ' ALA . . . -41.06 -29.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 126' ' ' ILE . 3.8 t70 -82.01 -49.61 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 126' ' ' ILE . 2.5 t-20 -62.47 -53.25 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.9 tt -56.58 -32.69 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -73.29 -4.26 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.7 t70 -84.2 -36.24 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -85.6 -23.43 27.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 131' ' ' ALA . 30.5 mt -47.88 -79.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 51.83 82.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.96 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.495 0.188 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 173.06 167.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 173.11 -171.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.0 t-20 -60.33 -163.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -108.76 -64.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.51 -70.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -46.81 -43.78 18.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 5.2 tp10 -60.5 -45.57 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.31 -39.18 60.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD2' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -60.47 -58.93 6.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 96' ' ' ILE . 0.8 OUTLIER -42.44 -57.78 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -38.43 -62.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 21.1 m-85 -55.63 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -39.77 -45.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -50.59 -44.75 57.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 8.5 pt20 -85.83 43.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.848 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -147.95 -74.21 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.04 128.49 56.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -110.59 -58.03 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.8 p -37.33 155.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -100.18 -58.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -45.09 -28.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -51.47 -34.46 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.44 -60.41 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.852 HD13 HD21 ' A' ' 134' ' ' LEU . 6.7 mt -53.69 -23.1 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.1 -25.58 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -70.17 -57.49 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.728 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.39 -29.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -90.25 -70.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -38.96 -47.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.811 HG21 ' ND1' ' A' ' 106' ' ' HIS . 14.7 m -36.19 -46.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -116.0 40.66 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -156.38 46.71 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -127.23 -106.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.85 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.586 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 11.1 t -112.67 -19.15 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 78.33 -40.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 36' ' ' THR . 1.4 t -66.37 -9.32 32.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -21.6 23.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.2 t -45.56 158.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.971 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.0 t0 -49.03 154.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 95.74 134.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.0 148.57 35.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.83 -12.85 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -59.93 -56.6 34.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.95 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 50' ' ' ILE . 7.7 mm -43.18 -54.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -27.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.577 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.14 -42.68 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.885 HD12 HG22 ' A' ' 100' ' ' VAL . 2.5 pt -83.59 8.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.595 HG21 ' CE1' ' A' ' 109' ' ' PHE . 1.8 mt -100.67 -25.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.27 13.61 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -93.79 -19.77 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 104' ' ' LEU . 2.4 p -115.1 22.42 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -72.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.98 147.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -67.86 -29.93 69.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 18.1 m120 -66.17 -33.14 75.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.5 -57.26 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -46.57 -42.7 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 37.7 mt -64.09 -72.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 tt0 -46.19 -25.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.866 HG21 HD11 ' A' ' 110' ' ' LEU . 34.6 mt -77.19 -43.23 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -50.85 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -36.53 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.6 mt -60.09 -42.2 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.78 -42.44 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 119' ' ' ILE . 45.8 t -59.63 -38.93 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -50.77 -22.69 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -93.2 -40.41 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -66.88 -51.58 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.173 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -55.43 -45.83 76.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 m -66.29 -37.39 85.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.903 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.1 mt -50.2 -33.19 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 61.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' VAL . 22.9 t -170.0 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 74' ' ' LEU . 20.8 t -37.97 129.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.21 -161.24 52.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.89 -51.61 5.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 p -127.48 51.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 45.21 76.05 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.52 -89.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 0.9 OUTLIER -112.89 134.76 54.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.903 ' HG3' HD21 ' A' ' 74' ' ' LEU . 47.6 ttp -77.35 -23.76 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ALA . 29.1 t -36.68 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 89' ' ' SER . 7.5 t80 -84.14 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASN . 3.7 m-30 50.28 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -38.31 -45.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 87' ' ' PHE . 70.2 p -61.61 -47.71 84.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.535 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 10.7 t-20 -132.91 99.18 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -82.0 -38.73 24.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.632 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 6.4 mm-40 -38.17 -52.34 3.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.96 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 88' ' ' PHE . . . -51.51 -24.66 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.701 HG21 HG13 ' A' ' 11' ' ' ILE . 13.9 mt -75.79 -58.44 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.528 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -56.91 -41.27 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.623 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 9.6 m-30 -62.98 -60.56 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.448 ' SG ' ' NH1' ' A' ' 24' ' ' ARG . 4.8 m -41.5 -57.36 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.885 HG22 HD12 ' A' ' 50' ' ' ILE . 1.6 t -45.89 -44.86 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.537 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 2.6 mm -65.9 -43.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.816 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 8.1 m-85 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 103' ' ' PHE . 1.5 t80 -48.71 -38.82 22.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 100' ' ' VAL . 12.9 mt -68.66 -75.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CE1' ' OD2' ' A' ' 112' ' ' ASP . 4.2 m-85 -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.811 ' ND1' HG21 ' A' ' 31' ' ' THR . 42.6 m170 -56.47 -51.39 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 30.2 p90 -170.49 67.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -135.37 -108.64 0.97 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 51' ' ' ILE . 10.0 m-85 -129.74 -37.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 63' ' ' ILE . 2.5 mt -48.18 149.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.72 150.46 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.662 ' OD2' ' CE1' ' A' ' 105' ' ' TYR . 2.0 m-20 -148.87 67.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.14 -173.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -170.16 95.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -114.15 -172.01 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.33 128.56 37.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.2 OUTLIER -141.31 -159.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.597 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.5 mm -64.73 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 12.7 ptmm? -37.13 -33.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.99 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 125' ' ' THR . . . -54.6 -61.54 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.816 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.6 m-85 -36.46 -43.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.68 -42.86 60.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.47 -29.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.793 ' CD1' HD13 ' A' ' 74' ' ' LEU . 19.1 mt -93.51 -63.48 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.462 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -40.04 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.565 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.7 OUTLIER -88.1 -58.13 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -48.82 -45.76 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.3 tt -56.52 -28.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -74.14 -2.96 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -86.81 -26.1 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -95.88 -24.48 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.852 HD21 HD13 ' A' ' 25' ' ' LEU . 44.8 mt -64.84 -69.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.8 -59.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 71.18 83.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.47 0.176 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.43 -79.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 49.05 50.49 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 6.8 p-10 -100.91 -177.38 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 1.2 m-20 162.86 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.4 mm -50.38 -43.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -59.96 -40.68 89.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.98 -29.59 69.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.857 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.87 -25.33 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.857 HD23 ' HG3' ' A' ' 9' ' ' GLN . 9.1 mt -73.32 -44.93 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.6 mp -60.36 -66.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -36.31 -49.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.931 ' HB3' HG22 ' A' ' 50' ' ' ILE . 1.5 m-85 -57.44 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -42.28 -36.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.0 t-20 -52.54 -36.78 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.8 mt-30 -71.08 -4.94 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -107.68 -77.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -129.54 97.45 4.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.4 p -100.93 -56.97 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' SER . 2.5 p -38.54 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.6 m170 -71.77 -64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -38.62 -45.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -47.87 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 0.6 OUTLIER -50.56 -63.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HA ' HD11 ' A' ' 28' ' ' ILE . 15.7 mt -54.42 -20.2 7.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.17 -28.9 48.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ILE . 72.5 t80 -74.61 -65.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.7 pt -34.85 -36.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -80.17 -59.55 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' THR . 26.0 p -44.26 -54.71 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 106' ' ' HIS . 14.6 m -36.31 -45.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.95 31.53 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 tt0 -169.22 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -112.27 -93.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -169.88 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 38' ' ' SER . 15.2 t -121.02 -156.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 5.1 m-85 -133.39 5.92 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.974 ' O ' HD11 ' A' ' 44' ' ' LEU . 1.1 t -137.44 25.07 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -148.75 18.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 41.9 t -58.46 164.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 28.5 t70 -39.2 -55.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 ' HB1' ' A' ' 17' ' ' ALA . 5.1 p -59.0 132.9 87.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 148.82 35.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.974 HD11 ' O ' ' A' ' 38' ' ' SER . 26.5 mt -82.19 -33.36 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -41.35 -58.28 3.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.03 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.702 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 9.1 mm -46.19 -54.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.83 -24.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -77.28 -42.97 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.931 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -72.46 -29.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.64 HG21 ' CE1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -54.77 -26.62 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.89 -11.64 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 54' ' ' THR . 2.5 tp -63.39 -40.09 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.828 HG23 HG23 ' A' ' 53' ' ' ILE . 11.5 p -105.1 22.85 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -49.88 -52.56 31.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.57 167.95 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -51.02 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' GLN . 26.2 p30 -49.42 -25.62 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.68 -51.71 38.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.02 -45.1 42.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -63.38 -63.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -26.52 16.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.848 ' CG2' HD11 ' A' ' 110' ' ' LEU . 19.2 mt -68.27 -49.67 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.82 -54.51 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -39.01 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.471 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mt -58.11 -45.99 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.546 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -53.95 -47.81 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 64' ' ' THR . 36.4 t -53.29 -50.57 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 59.4 t30 -36.52 -54.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -80.4 -56.59 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.966 HD11 ' CD1' ' A' ' 123' ' ' TYR . 1.4 mm -38.8 -62.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -44.46 -43.08 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ASN . 34.6 m -70.02 -34.58 73.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' CD1' ' A' ' 126' ' ' ILE . 1.4 mt -53.38 -20.24 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.0 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' CD2' ' A' ' 87' ' ' PHE . 82.7 t -88.88 110.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.61 153.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.42 -70.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -72.39 95.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.52 -140.0 14.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 83' ' ' TYR . 2.2 mt-30 -173.56 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.796 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 18.1 m-30 32.91 84.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 ttp -53.45 -36.37 61.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.956 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -45.01 -45.31 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.38 95.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.915 ' CD2' HG13 ' A' ' 77' ' ' VAL . 2.4 t80 -80.62 50.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 2.2 t80 -140.36 -43.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -51.48 21.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -81.36 -36.78 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 m-20 -108.82 77.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 96' ' ' ILE . 58.6 p -90.65 -51.55 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -47.15 -47.62 55.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.98 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.01 -18.21 22.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 97' ' ' ILE . 2.9 mt -78.26 -66.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -39.55 -42.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 5.4 m-30 -68.96 -45.33 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.501 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.8 t -46.99 -55.06 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -50.33 -52.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.615 HG21 ' OH ' ' A' ' 123' ' ' TYR . 11.8 mm -49.58 -65.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CE2' HG22 ' A' ' 28' ' ' ILE . 8.5 t80 -39.44 -45.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -62.78 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 11.4 mt -39.28 -30.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.906 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.9 m-85 -83.9 -46.32 12.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -39.72 -61.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.648 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 27.0 m-85 -165.84 35.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.86 -106.77 2.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 51' ' ' ILE . 8.7 m-85 -125.03 -34.64 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.906 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.9 mt -48.5 137.59 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -106.09 133.73 50.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.539 ' HB2' ' CD1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -157.54 92.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 113' ' ' ASN . 5.8 p-10 168.84 73.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -173.85 -66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -122.69 -67.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -97.05 67.36 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' N ' ' A' ' 119' ' ' ILE . 14.7 pt20 -101.42 -10.38 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.85 -24.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.865 HG22 ' CE2' ' A' ' 123' ' ' TYR . 1.3 mm -60.72 -28.29 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -29.28 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -74.79 -28.75 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.33 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.966 ' CD1' HD11 ' A' ' 71' ' ' ILE . 7.8 m-85 -41.97 -36.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -72.9 -39.7 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.32 -27.09 44.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.86 ' CD1' HD22 ' A' ' 74' ' ' LEU . 9.0 mt -94.01 -59.81 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.432 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.52 -26.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' ALA . 24.8 t0 -86.89 -62.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -48.71 -45.36 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.956 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.1 tt -59.61 -28.0 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -87.01 2.22 50.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -85.22 -46.61 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 1.3 p90 -88.57 3.29 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.6 mt -60.21 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.0 t30 178.14 70.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 49.8 61.52 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.505 0.193 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.454 ' HG3' ' NE2' ' A' ' 3' ' ' GLN . 1.2 tp10 -156.79 85.68 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.454 ' NE2' ' HG3' ' A' ' 2' ' ' GLU . 1.2 mp0 53.02 172.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 37.1 p-10 -178.23 137.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 7.7 t-20 83.73 -153.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' LYS . 26.6 mm -38.27 -66.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -36.92 -51.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.49 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 1.2 tt0 -62.01 -51.55 67.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.49 -39.85 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 HD21 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -64.07 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.541 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -39.56 -61.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.13 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB2' HG22 ' A' ' 50' ' ' ILE . 19.5 m-30 -36.87 -67.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.05 -40.95 24.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.77 -43.93 90.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -85.64 45.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . . . -153.77 -77.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.1 t -106.25 109.85 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.244 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -102.62 -48.81 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' SER . 39.9 p -36.01 154.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLU . 7.8 m-70 -97.68 -83.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' HIS . 58.0 mt-30 -36.37 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -40.26 -50.18 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 7.3 mtm-85 -44.79 -64.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.713 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.5 mt -48.5 -23.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -82.15 -38.5 24.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' ILE . 7.3 m-30 -59.54 -61.91 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.9 pt -35.08 -35.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' PHE . 5.3 t -90.62 -73.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -37.12 -33.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 106' ' ' HIS . 23.8 m -77.75 47.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 22.69 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 90.0 p -117.55 -101.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' N ' ' OG ' ' A' ' 34' ' ' SER . 1.3 t0 -171.05 -51.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.732 HG23 ' N ' ' A' ' 37' ' ' PHE . 8.3 t -127.04 -145.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.732 ' N ' HG23 ' A' ' 36' ' ' THR . 2.2 m-85 -118.67 -40.66 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.96 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.62 -9.08 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -88.23 -25.18 23.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 88.1 t -67.14 -110.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.896 ' O ' HG12 ' A' ' 42' ' ' VAL . 7.6 t0 -144.26 -156.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 56.01 138.38 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 146.45 32.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.96 HD11 ' HB3' ' A' ' 38' ' ' SER . 19.2 mt -82.9 -14.33 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.84 -58.25 20.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.94 -43.51 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 HG21 ' A' ' 42' ' ' VAL . 11.6 mm -49.22 -48.52 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.96 -21.03 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 5.0 t-20 -79.11 -41.64 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 100' ' ' VAL . 5.3 pt -82.55 1.89 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.866 HD11 ' HA2' ' A' ' 108' ' ' GLY . 1.9 mt -97.05 -21.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -83.92 37.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.468 HD13 HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -116.2 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.831 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.0 p -96.77 -0.72 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -54.09 -52.52 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' GLN . 7.9 m-20 -56.84 168.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -84.34 -51.29 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.7 m-20 -56.77 -31.0 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 14.2 mm-40 -62.54 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -39.51 -43.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.5 -51.04 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.5 mt-10 -56.73 -28.77 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.831 ' CD1' HG22 ' A' ' 54' ' ' THR . 75.1 mt -74.92 -43.54 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -46.83 -59.41 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.457 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -54.88 -55.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -50.48 -42.56 54.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 15.5 t -66.67 -32.83 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.58 -33.02 74.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -89.61 -17.03 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -88.33 -51.63 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 71' ' ' ILE . 24.9 pttt -46.97 -27.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 m -83.82 -36.06 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mt -60.08 -22.22 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -1.2 23.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.7 p -144.24 60.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 74' ' ' LEU . 56.7 t -94.57 115.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.35 -154.12 16.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.92 -46.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -109.95 78.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.84 118.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 174.44 82.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -63.8 163.2 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.482 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 7.0 tmm? -59.02 -15.91 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -70.0 -53.04 19.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 90' ' ' THR . 0.4 OUTLIER -63.4 -13.18 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -88.97 39.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 1.034 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 8.3 t80 -138.34 -46.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.1 t -61.4 -29.52 69.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 31.3 p -64.06 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 3.4 m120 -119.47 123.89 45.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.944 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -43.87 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -37.17 -53.16 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -74.98 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.034 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -49.53 -25.19 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 92' ' ' SER . 1.1 mp -78.34 -59.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.691 HD12 HG22 ' A' ' 96' ' ' ILE . 1.5 mp -59.52 -26.29 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.805 ' CE2' ' CE1' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -64.43 -60.6 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -40.25 -50.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.761 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.8 mm -61.84 -64.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.809 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -37.02 -59.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.594 ' O ' ' C ' ' A' ' 104' ' ' LEU . 15.7 m-85 -59.04 -62.25 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 103' ' ' PHE . 1.8 mt -23.61 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 110' ' ' LEU . 35.3 m-85 -62.26 -65.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 31' ' ' THR . 40.9 m170 -100.75 49.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.617 ' HE2' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -172.8 -61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.866 ' HA2' HD11 ' A' ' 51' ' ' ILE . . . -84.05 -106.43 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 69.1 m-85 -165.52 67.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.6 mt -100.02 138.5 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.76 121.4 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.705 ' O ' HG21 ' A' ' 118' ' ' ILE . 19.6 t0 -170.45 58.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -145.55 96.3 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -157.23 33.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -171.96 149.33 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -54.14 129.14 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 121' ' ' LYS . 2.0 mt-30 54.24 100.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.705 HG21 ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -122.49 -172.2 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.695 HG22 ' CD2' ' A' ' 123' ' ' TYR . 7.1 mm -45.19 -64.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 119' ' ' ILE . 1.6 ttpt -35.44 -40.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.47 ' CE ' ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -56.9 -59.13 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -53.53 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.809 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 6.6 m-30 -45.62 -25.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.93 -35.86 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -67.8 -19.52 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.352 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.482 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.2 mt -97.09 -54.28 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.451 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -51.04 -25.91 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 131' ' ' ALA . 15.0 t0 -90.73 -59.33 2.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -50.08 -38.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -66.05 -27.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -83.28 5.62 22.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.73 -25.09 21.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.28 -11.71 19.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 131' ' ' ALA . 8.2 mt -57.11 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.55 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.4 65.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 162.43 13.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 172.77 41.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.2 -166.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -123.79 -76.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm -60.63 -67.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -47.69 -44.04 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.24 -47.12 87.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.39 -38.04 40.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.47 -47.03 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.636 HG13 HG21 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.71 -60.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.49 -58.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' ILE . 10.5 m-85 -51.11 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 51.8 t80 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -41.11 -39.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.2 mm-40 -85.31 43.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -153.69 -70.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' CB ' HG23 ' A' ' 42' ' ' VAL . 11.9 t -144.32 92.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.05 -20.28 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 p -43.59 161.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.436 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 12.2 m-70 -100.05 -69.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -42.03 -34.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -49.24 -36.3 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 21' ' ' HIS . 32.6 mtt85 -56.77 -47.26 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.8 mt -64.7 -28.61 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -15.05 40.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 1.4 t80 -83.23 -58.89 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.633 ' HB ' ' HB1' ' A' ' 127' ' ' ALA . 0.7 OUTLIER -39.84 -29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 27' ' ' PHE . 34.7 t -85.59 -70.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -42.05 -43.76 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.591 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 21.0 m -48.38 -38.84 20.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -95.75 24.82 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' SER . 20.2 mm-40 -144.65 56.98 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -170.09 90.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -24.14 66.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.533 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 1.1 t -89.04 -23.04 22.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 36' ' ' THR . 2.8 m-85 76.51 -47.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.645 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -58.08 -16.46 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -25.72 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.612 HG21 ' CE1' ' A' ' 107' ' ' PHE . 74.7 t -55.33 153.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 4.7 t70 -59.57 -165.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 41' ' ' ASP . 5.3 p 55.28 141.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 149.41 36.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 38' ' ' SER . 38.0 mt -82.21 -41.23 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 mt-10 -35.04 -56.63 0.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.97 -51.54 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 20.5 mm -49.49 -37.22 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.7 mtmt -60.57 -16.0 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.3 t-20 -87.79 -40.12 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.962 HD12 HG22 ' A' ' 100' ' ' VAL . 3.3 pt -80.45 -0.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.7 mt -89.12 -23.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -12.46 60.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.2 tp -58.07 -35.29 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 63' ' ' ILE . 7.1 p -100.51 20.57 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -67.7 -47.74 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -76.55 154.82 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.1 pm0 -75.13 -27.24 59.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -72.4 -15.88 61.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.08 -58.05 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 14.3 pt20 -47.73 -42.56 25.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 57' ' ' GLU . 19.0 mt -59.7 -75.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -41.32 -30.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 101' ' ' ILE . 41.5 mt -72.19 -49.42 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -44.12 -62.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -43.76 88.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -52.24 -47.64 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.14 -43.48 78.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 64' ' ' THR . 17.8 t -68.87 -39.26 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -41.57 -31.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -99.62 -48.86 4.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -46.72 -49.32 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -56.54 -33.73 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -80.17 -32.93 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.755 HD23 HG21 ' A' ' 77' ' ' VAL . 2.6 mt -59.31 -16.92 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 37.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.17 31.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.755 HG21 HD23 ' A' ' 74' ' ' LEU . 42.2 t -86.91 81.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 79' ' ' ALA . . . -55.85 -168.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 78' ' ' GLY . . . 89.87 127.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 80' ' ' THR . 82.0 p -41.52 100.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.39 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.74 152.8 17.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -112.36 54.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 133' ' ' TYR . 13.2 m-85 -87.23 81.32 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 126' ' ' ILE . 2.3 ttt -38.37 -33.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -44.18 -41.78 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -59.41 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -75.0 54.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.5 m-85 -155.06 -45.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 29.8 p -62.58 -62.41 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.437 ' N ' ' OG1' ' A' ' 90' ' ' THR . 2.7 m120 -94.23 99.36 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' HD12 ' A' ' 96' ' ' ILE . 39.2 p -85.74 -41.03 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -44.16 -55.83 8.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.25 -20.37 6.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 11' ' ' ILE . 4.4 mt -78.93 -63.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.483 HD11 HD12 ' A' ' 11' ' ' ILE . 1.2 mp -46.08 -42.03 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -64.13 -42.67 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.422 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 44.0 t -49.19 -38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.962 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -67.84 -44.73 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.742 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.7 mm -58.84 -55.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -48.72 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.78 -40.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.73 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.801 ' CE2' HD13 ' A' ' 110' ' ' LEU . 12.1 m-85 -50.24 -59.71 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 5.9 m-70 -40.11 -64.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 40' ' ' VAL . 5.0 m-30 -50.97 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.69 59.18 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -127.06 -52.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.801 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.4 mt -62.76 144.38 56.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -119.66 163.57 17.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -170.38 34.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 47.94 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.05 160.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.19 -41.95 2.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.17 179.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' HB2' ' CG ' ' A' ' 121' ' ' LYS . 1.8 pt20 -39.82 136.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.8 OUTLIER -144.54 -170.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 23.8 mm -40.24 -52.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -45.79 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.7 tmtt? -53.56 -54.17 41.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 125' ' ' THR . . . -64.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.9 m-85 -39.94 -39.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -39.21 47.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -49.55 -29.65 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 74' ' ' LEU . 13.8 mt -89.91 -64.13 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -40.6 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 25.8 t70 -86.17 -51.32 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 7.9 m-20 -55.87 -47.55 77.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 5.4 tt -58.39 -40.04 76.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.53 -7.59 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 5.6 t70 -79.31 -19.41 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -104.47 -41.06 5.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 25' ' ' LEU . 65.1 mt -48.28 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 t30 65.07 90.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -172.07 73.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.986 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.532 0.206 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.74 171.88 3.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 72.66 119.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 58.95 166.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -144.14 -65.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' GLN . 36.0 mm -56.35 -77.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.14 -41.99 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -43.17 98.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -59.0 -33.32 70.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.08 -44.81 83.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.619 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -57.44 -69.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 11' ' ' ILE . 2.3 m -39.25 -58.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.699 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -45.82 -89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -41.48 -44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 16.8 t-20 -48.62 -41.1 29.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 mm-40 -85.17 46.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -152.52 -70.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' SER . 25.3 p -63.65 -141.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.428 ' CA ' ' HB2' ' A' ' 23' ' ' GLU . 3.5 m -164.65 71.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.8 p 47.99 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 89' ' ' SER . 6.9 m80 -42.37 -51.92 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' HIS . 19.6 mt-30 -34.17 -50.69 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -46.53 -55.8 6.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -60.77 -25.05 66.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 m-20 -88.91 -10.39 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.578 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 40.8 t80 -89.33 -57.72 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -40.66 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ARG . 42.5 t -85.64 -70.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -42.67 -57.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.578 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 87.7 m -49.47 -32.1 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 tpt180 -83.0 -24.15 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 3.7 pt-20 -116.11 42.89 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -155.17 84.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.63 -34.85 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -88.9 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.743 ' N ' HG23 ' A' ' 36' ' ' THR . 11.3 m-85 -120.26 -39.53 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.746 ' CA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.79 -11.56 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 36' ' ' THR . 33.3 m -78.68 -34.11 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 85.8 t -57.85 148.54 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -54.3 48.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 40' ' ' VAL . 8.3 p -46.37 138.44 6.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.03 143.01 28.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' CA ' ' A' ' 38' ' ' SER . 8.8 mt -81.72 -10.78 59.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.0 mm-40 -62.44 -60.2 10.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -41.16 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.678 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 16.7 mm -52.72 -40.21 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -63.11 -12.79 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.05 -32.58 16.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.786 HD12 HG22 ' A' ' 100' ' ' VAL . 5.1 pt -88.48 -12.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.0 mt -73.38 -24.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 42.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -113.4 -37.7 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.624 HG21 HD13 ' A' ' 104' ' ' LEU . 7.3 p -92.44 21.05 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -66.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -52.04 139.05 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -64.3 -27.36 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -70.25 -34.53 72.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -67.98 -49.3 62.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' THR . 12.2 mt-30 -55.19 -41.7 72.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -66.68 -54.77 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.8 tp10 -60.01 -27.27 66.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.841 HG21 HD11 ' A' ' 110' ' ' LEU . 17.0 mt -73.04 -47.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -46.98 -57.91 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.09 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.9 mt -45.37 -44.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 71' ' ' ILE . . . -59.34 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.775 HG22 HD11 ' A' ' 119' ' ' ILE . 17.9 t -63.64 -30.24 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.23 -35.26 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.83 -27.33 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.588 ' CG1' ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -76.45 -49.66 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -46.04 -31.33 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.5 m -77.13 -37.21 54.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 126' ' ' ILE . 6.4 mt -59.16 -16.57 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -83.0 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.75 -73.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' A' ' 87' ' ' PHE . 2.4 t 40.09 73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.34 -99.67 2.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.76 -66.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.3 112.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.32 116.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -172.81 77.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLN . 19.4 m-85 34.01 91.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' PHE . 16.3 mmt -55.79 -36.0 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -49.12 -41.52 36.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -24.65 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CD1' HG13 ' A' ' 77' ' ' VAL . 18.9 t80 -89.95 52.03 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CE1' ' NH2' ' A' ' 24' ' ' ARG . 91.4 m-85 -157.88 -40.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.588 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 30.8 t -46.7 -54.27 9.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.2 p -72.63 -53.97 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.51 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.2 t-20 -83.34 89.6 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.913 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -88.84 -48.24 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.686 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.3 mt-10 -38.98 -51.48 4.02 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.686 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.0 -48.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.79 -43.54 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 92' ' ' SER . 1.5 mp -59.76 -56.48 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -60.41 -64.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.0 t80 -41.46 -42.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.32 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.786 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -48.18 -41.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.751 HD12 HG23 ' A' ' 63' ' ' ILE . 17.8 mm -56.63 -52.52 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.641 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 88.9 t80 -61.36 -58.49 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.678 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -38.98 -51.04 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 54' ' ' THR . 7.5 mt -61.89 -69.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.8 m-85 -39.48 -57.63 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.641 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -50.86 -59.72 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 40' ' ' VAL . 3.2 m-85 -55.55 -61.77 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.49 66.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -134.66 -53.71 0.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.74 132.05 52.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -108.79 124.5 50.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -137.13 110.77 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 89.89 4.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.53 -58.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -137.38 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -177.66 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.515 ' O ' ' C ' ' A' ' 118' ' ' ILE . 0.9 OUTLIER -120.16 -56.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.567 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER 30.56 -98.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.775 HD11 HG22 ' A' ' 68' ' ' VAL . 6.3 mm -58.34 -64.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -40.16 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 117' ' ' GLN . 35.8 tptt -72.68 -65.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.93 -64.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.653 ' CD1' HG22 ' A' ' 119' ' ' ILE . 4.9 m-85 -38.68 -49.46 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -69.86 -36.0 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.84 -27.52 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 74' ' ' LEU . 7.8 mt -91.88 -60.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -38.18 -31.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.5 t0 -87.74 -63.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 23.2 m-20 -44.9 -48.28 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.05 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -54.79 -37.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -71.95 -5.35 34.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 3.5 t70 -82.82 -28.37 30.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -92.85 -35.42 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 131' ' ' ALA . 41.3 mt -53.31 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -178.66 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.48 28.85 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.413 ' HA ' ' SG ' ' A' ' 29' ' ' CYS . 13.1 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.456 0.17 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -79.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.46 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 3.2 tt0 173.96 123.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 2.7 m-20 159.27 173.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -102.46 -62.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 45.6 mm -67.36 -75.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.591 ' HE3' HD13 ' A' ' 97' ' ' ILE . 1.9 tptt -38.58 -48.88 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 24.6 tt0 -52.7 -55.98 18.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.57 -48.63 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.859 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 25.3 mt -46.55 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.794 HG13 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -27.27 -57.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -33.09 -56.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.034 ' O ' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -56.53 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 2.6 t80 19.11 -63.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 1.034 ' N ' ' O ' ' A' ' 13' ' ' PHE . 10.4 t30 -46.96 -37.46 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 12' ' ' SER . 5.7 mm-40 -74.16 -30.31 62.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -66.04 -71.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.29 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.313 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -87.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 p -55.67 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -89.27 -49.07 6.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -49.35 -23.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.81 -40.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 88' ' ' PHE . 1.3 mpp_? -57.66 -62.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.618 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.9 mt -54.34 -20.75 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -30.11 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.968 ' CE1' HG11 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -69.31 -68.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' CG2' ' A' ' 130' ' ' ILE . 3.4 pt -35.19 -35.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' PHE . 15.5 t -84.99 -60.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -44.94 -45.17 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.656 HG23 ' HE1' ' A' ' 107' ' ' PHE . 23.4 m -51.77 -34.27 38.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -93.44 10.39 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -143.07 56.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m -170.28 90.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -24.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -115.62 -167.37 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.792 ' CD1' ' CE2' ' A' ' 107' ' ' PHE . 9.1 m-85 -113.77 -20.46 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -2.53 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -91.44 -40.34 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.968 HG11 ' CE1' ' A' ' 27' ' ' PHE . 58.0 t -51.29 146.32 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -71.86 70.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 ' HD2' ' A' ' 43' ' ' PRO . 3.3 p -175.12 141.53 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 150.67 38.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 18.3 mt -81.87 -41.15 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -35.0 -57.59 0.79 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.02 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 50' ' ' ILE . 15.3 mm -44.65 -55.66 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 7.4 mttp -46.58 -26.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.9 t-20 -75.4 -40.5 57.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -76.64 -2.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.7 mt -93.72 -25.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.4 29.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.0 OUTLIER -99.58 -34.14 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.423 HG22 HD13 ' A' ' 63' ' ' ILE . 4.3 p -97.5 22.81 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 14.6 pttt -62.71 -55.5 26.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 78.2 m-20 -66.59 158.84 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 61' ' ' ILE . 5.1 pm0 -83.89 -26.35 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -72.31 -13.4 61.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -53.02 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -52.82 -36.96 59.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.9 mt -64.64 -65.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 12.8 mt-10 -56.82 -25.41 55.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.751 HG21 HD21 ' A' ' 110' ' ' LEU . 9.3 mt -71.54 -48.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -59.4 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.11 92.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 9.2 mt -57.15 -39.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -61.25 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 71' ' ' ILE . 54.9 t -62.75 -32.53 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -50.68 -22.51 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.2 m-80 -97.36 -39.75 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -63.14 -51.93 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.77 -40.81 66.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -74.43 -33.07 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 77' ' ' VAL . 4.0 mt -61.97 -14.21 32.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -89.84 37.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 t -169.23 32.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.743 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t -90.46 123.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.65 17.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.3 -63.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -102.39 67.05 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.43 -118.23 5.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.77 87.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 53.8 m-85 -61.83 138.54 58.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 74' ' ' LEU . 1.2 ttt -51.99 -20.47 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -64.68 -44.5 90.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -43.49 95.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 91' ' ' ASN . 4.5 t80 -71.07 -16.82 62.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -61.99 -29.62 70.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.4 t -73.93 -56.41 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 p -67.25 -34.54 77.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 2.1 m-80 -125.08 70.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 96' ' ' ILE . 79.1 p -82.93 -31.35 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -46.54 -57.91 7.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.1 Cg_endo -75.03 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.593 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . . . -58.7 -18.43 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.794 HG21 HG13 ' A' ' 11' ' ' ILE . 6.3 mt -81.67 -66.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.591 HD13 ' HE3' ' A' ' 7' ' ' LYS . 1.5 mp -46.17 -46.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 3.3 t80 -58.7 -49.82 76.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . 11.4 t -41.62 -43.24 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 t -73.84 -53.2 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.66 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -45.37 -38.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 28' ' ' ILE . 42.1 t80 -68.58 -70.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.61 ' CE2' ' CE2' ' A' ' 107' ' ' PHE . 2.9 t80 -35.96 -44.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLY . 51.4 mt -58.56 -67.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 7.8 m-85 -44.96 -58.63 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.56 ' ND1' HG22 ' A' ' 31' ' ' THR . 37.6 t-80 -45.78 -51.03 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.659 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 4.3 m-85 -69.28 -22.67 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 87.3 68.46 1.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -124.29 -53.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 63' ' ' ILE . 1.7 mt -61.31 153.48 26.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -85.19 110.45 19.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -124.24 116.13 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.02 139.35 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -72.53 117.65 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.83 -165.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -59.02 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' HB2' ' CD ' ' A' ' 121' ' ' LYS . 2.6 pt20 -47.4 137.02 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.9 OUTLIER -137.57 -168.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.437 ' N ' HG23 ' A' ' 118' ' ' ILE . 10.8 mm -42.31 -66.65 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -40.49 -50.12 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -53.03 -52.79 57.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 125' ' ' THR . . . -63.33 -64.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.781 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 4.1 m-85 -44.69 -30.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -79.71 -36.5 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -60.38 -24.84 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 74' ' ' LEU . 5.2 mt -95.38 -58.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 102' ' ' TYR . . . -43.68 -27.69 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 33.9 t70 -89.72 -58.3 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 31.0 t30 -49.33 -45.76 45.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.5 tt -56.16 -25.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -82.54 6.01 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 19.2 t0 -74.81 -35.74 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 1.1 p90 -103.83 7.82 37.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 134' ' ' LEU . 3.6 mt -64.29 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -146.11 -55.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -171.15 43.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' LYS . 44.4 mm . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 11' ' ' ILE . 5.3 tptt -37.19 -55.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.23 -50.75 70.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.7 mt-30 -46.76 -39.72 12.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.411 HD12 HG13 ' A' ' 97' ' ' ILE . 9.5 mt -67.93 -58.3 4.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.819 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -47.59 -63.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -37.24 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 22.7 m-30 -40.67 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -44.22 -52.72 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.71 -30.61 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -90.44 31.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -135.54 -72.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.48 -164.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.95 -89.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -79.73 -168.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' N ' ' A' ' 23' ' ' GLU . 72.8 m-70 -90.05 -58.07 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.579 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' GLU . 20.5 mt-30 -41.51 -27.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER -37.1 -51.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' PHE . 72.0 mtt85 -45.88 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.4 mt -50.54 -22.64 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.5 OUTLIER -83.4 -34.65 25.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ILE . 9.8 m-30 -65.17 -61.16 2.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.0 pt -32.72 -40.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' SER . 8.7 t -90.96 -71.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.491 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 20.8 t -35.1 -48.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.518 HG23 ' CE1' ' A' ' 107' ' ' PHE . 23.6 m -53.78 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.11 46.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -171.26 38.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -116.43 -107.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -171.1 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 38' ' ' SER . 9.0 t -104.03 -18.98 14.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 21.2 m-85 62.75 11.83 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 36' ' ' THR . 1.3 t -122.78 -1.55 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -104.73 -0.03 27.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 41' ' ' ASP . 49.3 t -43.54 165.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 40' ' ' VAL . 11.6 t0 -69.54 64.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.8 p -168.92 140.45 2.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.06 -21.75 36.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -51.85 -57.98 12.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.06 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.709 HG22 ' CD1' ' A' ' 51' ' ' ILE . 11.8 mm -50.51 -34.17 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -27.87 66.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' PRO . 13.2 m120 -77.22 -37.77 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 100' ' ' VAL . 1.2 pt -83.59 0.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.709 ' CD1' HG22 ' A' ' 47' ' ' ILE . 13.0 mt -101.72 -33.83 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 3.7 mt-10 -88.05 42.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG23 HG22 ' A' ' 54' ' ' THR . 1.1 tp -115.51 -35.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.562 ' CG2' HD13 ' A' ' 63' ' ' ILE . 3.0 p -96.53 23.86 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -92.92 30.89 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.7 m-20 -138.37 146.65 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.4 mt-10 -52.13 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' GLU . 36.5 m-20 -37.08 -37.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 13.0 mm-40 -59.53 -62.25 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -46.39 -45.05 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 3.2 mt -63.89 -71.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.38 -30.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.725 HG23 ' CD1' ' A' ' 101' ' ' ILE . 62.1 mt -73.7 -49.38 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -43.87 -63.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.372 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -42.2 79.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -46.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.8 -44.42 96.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 64' ' ' THR . 46.7 t -62.94 -40.87 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -43.55 -27.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.0 t-20 -91.37 -45.93 8.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -58.05 -50.96 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.72 -25.67 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -90.12 -32.4 16.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.66 -9.3 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 41.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.065 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -169.56 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 84' ' ' MET . 7.0 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.606 ' CZ ' ' CD1' ' A' ' 133' ' ' TYR . 15.2 m-30 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.452 0.167 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 77' ' ' VAL . 31.7 mmt -76.82 -24.27 52.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.06 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -55.64 -45.71 77.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -48.05 -25.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 26.2 t80 -90.09 48.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 97.7 m-85 -163.5 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -50.97 -33.37 24.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.9 p -68.52 -68.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 73.0 m-80 -97.64 110.57 23.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.86 -43.17 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 1.8 mt-10 -39.28 -55.11 3.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.457 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.96 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -51.83 -23.53 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.819 HG21 HG13 ' A' ' 11' ' ' ILE . 4.1 mt -77.5 -69.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -40.55 -42.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' ASN . 18.6 m-85 -64.0 -54.76 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.24 -42.85 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.86 HG22 HD12 ' A' ' 50' ' ' ILE . 2.3 t -57.33 -47.19 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.725 ' CD1' HG23 ' A' ' 63' ' ' ILE . 13.4 mm -54.31 -61.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 45.3 m-85 -43.64 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -35.52 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 51' ' ' ILE . 68.7 mt -42.49 -61.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 9.7 m-85 -53.88 -39.96 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.507 ' HB3' HG22 ' A' ' 31' ' ' THR . 72.3 m-70 -60.34 -26.24 66.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 17.9 m-30 -107.65 12.14 27.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.75 64.91 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.84 -54.67 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 63' ' ' ILE . 1.3 mt -58.83 154.16 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.76 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.76 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.3 mm -62.24 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 121' ' ' LYS . 2.7 pttt -41.23 -29.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 119' ' ' ILE . 20.9 tptt -71.53 -57.32 4.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 125' ' ' THR . . . -62.36 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.4 m-85 -40.7 -40.03 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.24 67.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -57.14 -27.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 130' ' ' ILE . 4.1 mt -94.6 -58.08 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.435 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.02 -27.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.2 t70 -90.17 -62.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -47.38 -43.42 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.06 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -59.77 -32.96 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -77.31 -0.34 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -86.38 -21.25 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.606 ' CD1' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -102.34 -23.57 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 57.6 mt -56.38 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.649 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.89 -34.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.48 -52.11 59.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.722 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -52.79 -23.16 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.722 HD23 ' HG3' ' A' ' 9' ' ' GLN . 5.2 mt -75.67 -49.02 19.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.649 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.1 mp -53.24 -64.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 11' ' ' ILE . 36.8 m -42.46 -56.8 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.4 m-30 -48.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CD2' HG23 ' A' ' 100' ' ' VAL . 28.1 t80 -43.8 -41.08 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 24.1 t30 -53.44 -36.03 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' PHE . 3.6 mt-30 -77.18 0.65 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' PHE . . . -98.95 -73.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -59.83 -158.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.04 -84.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -96.65 -166.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.476 ' CD2' ' CZ ' ' A' ' 88' ' ' PHE . 5.6 m80 -79.61 -56.8 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -39.3 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 4.1 mm-40 -45.12 -43.14 9.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 19.2 mtt85 -53.08 -49.54 66.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.7 mt -71.44 -17.6 62.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -90.62 -9.19 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 8.8 m-30 -90.22 -57.69 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.04 -29.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' PHE . 21.1 p -90.24 -45.46 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' PHE . 31.9 t -56.64 -42.66 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -62.08 -27.23 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' A' ' 128' ' ' ASP . 0.0 OUTLIER -118.41 44.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -170.89 31.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 p -128.81 -107.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -171.03 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.714 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.4 t -122.78 -143.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.714 ' N ' HG23 ' A' ' 36' ' ' THR . 0.7 OUTLIER -108.33 -37.67 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.777 ' HA ' HD11 ' A' ' 44' ' ' LEU . 28.1 t -72.08 -4.82 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -89.31 -36.33 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 42' ' ' VAL . 77.2 t -52.47 156.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.06 -63.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 40' ' ' VAL . 9.3 p -39.27 135.47 1.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.0 Cg_endo -75.06 147.59 33.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 38' ' ' SER . 47.4 mt -82.06 -23.94 35.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.5 mt-10 -49.3 -57.63 11.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 51' ' ' ILE . 26.4 mm -52.23 -36.09 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.8 mttp -64.61 -12.4 45.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -90.25 -35.8 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 100' ' ' VAL . 7.2 pt -82.77 -34.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.696 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 50.0 mt -53.85 -30.54 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.24 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -111.14 -29.51 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.637 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -102.87 23.94 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -69.19 -59.4 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.91 144.92 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.842 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.6 pm0 -68.7 -29.18 67.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 2.1 m-20 -72.66 -27.41 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.0 -34.97 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 57' ' ' GLU . 15.8 mt -68.51 -65.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 mt-10 -51.75 -31.43 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.865 HG21 HD21 ' A' ' 110' ' ' LEU . 8.8 mt -65.52 -56.21 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -41.08 -54.57 2.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 64' ' ' THR . 4.3 mttt -63.82 -48.17 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.1 mt -49.32 -47.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -54.53 -44.99 73.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 119' ' ' ILE . 16.0 t -66.68 -49.75 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 38.4 t30 -39.16 -45.19 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' THR . 41.8 t30 -80.81 -57.42 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -42.25 -57.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.0 -38.55 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ASN . 20.0 m -71.29 -33.78 70.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -60.45 -15.32 25.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.9 48.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.54 -61.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.54 HG13 ' CG ' ' A' ' 87' ' ' PHE . 3.4 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ALA . 64.4 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.481 0.181 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 9.3 mmt 67.67 -63.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' A' ' 130' ' ' ILE . . . -45.04 -46.72 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -42.88 -49.9 5.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CG ' HG13 ' A' ' 77' ' ' VAL . 2.8 t80 -36.54 -38.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 8.0 t80 -40.75 -53.87 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -40.54 -38.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 p -94.43 -50.94 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -114.19 76.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 86.6 p -89.5 -47.41 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.6 mt-10 -40.6 -50.72 6.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.04 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.26 -27.54 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 92' ' ' SER . 2.3 mt -73.72 -56.92 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 96' ' ' ILE . 1.1 mp -52.95 -38.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.77 ' CD1' ' CD1' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -57.73 -57.16 13.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 103' ' ' PHE . 6.8 t -47.01 -47.39 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 108.341 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -66.22 -43.33 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -58.57 -71.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' OH ' ' CE1' ' A' ' 106' ' ' HIS . 14.0 t80 -47.27 -51.39 19.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.795 ' CE2' ' CZ ' ' A' ' 107' ' ' PHE . 9.7 t80 -45.79 -41.35 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.35 -48.18 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.651 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.4 m-85 -60.1 -37.78 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.574 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -70.98 -39.21 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.795 ' CZ ' ' CE2' ' A' ' 103' ' ' PHE . 3.9 m-85 -77.11 -22.28 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 109' ' ' PHE . . . 89.66 90.8 1.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.696 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 28.2 m-85 -159.55 -63.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -51.14 146.71 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.774 HD11 HG22 ' A' ' 68' ' ' VAL . 4.6 mm -63.83 -67.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -39.54 -55.35 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -45.97 -45.87 15.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.799 ' O ' HG22 ' A' ' 125' ' ' THR . . . -61.97 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 98' ' ' PHE . 9.6 m-85 -45.85 -32.71 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.5 -33.97 62.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.8 t -64.63 -25.74 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.782 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.0 mt -95.89 -54.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -50.64 -25.05 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.6 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 48.1 t0 -90.47 -60.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 132' ' ' ASP . 15.8 t30 -50.04 -48.13 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.02 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 8.4 tt -55.28 -19.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.39 10.97 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 129' ' ' ASN . 59.4 t0 -87.83 -44.58 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.3 OUTLIER -87.1 -30.91 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 131' ' ' ALA . 25.6 mt -45.78 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -54.64 -50.18 68.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.35 -42.35 91.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.0 mt-30 -51.7 -38.92 57.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.7 mt -64.71 -56.8 11.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG21 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -40.03 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.637 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -36.76 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 12.7 m-85 -39.32 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD2' HG23 ' A' ' 96' ' ' ILE . 49.9 t80 -43.1 -43.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -38.25 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.5 mt-30 -74.3 -1.87 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -111.47 -88.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' ' CE2' ' A' ' 27' ' ' PHE . 6.6 t -112.83 92.16 3.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -92.96 -56.41 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' SER . 3.0 p -37.17 155.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' ARG . 55.2 m80 -93.1 -58.67 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -40.2 -51.21 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.02 -41.48 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -52.26 -45.64 65.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HB1' ' A' ' 85' ' ' ALA . 8.1 mt -64.39 -29.96 71.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -15.9 44.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.458 ' C ' ' N ' ' A' ' 29' ' ' CYS . 3.3 m-85 -82.89 -60.68 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.75 HD12 HG21 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' N ' ' C ' ' A' ' 27' ' ' PHE . 7.4 t -90.61 -57.95 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -50.39 -57.77 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 29.0 m -51.34 -19.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 31.85 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.02 32.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -103.9 -100.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -170.31 -54.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 13.9 t -115.88 -20.39 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.955 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-85 77.28 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.905 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.89 -3.63 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.951 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -132.76 44.77 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 37' ' ' PHE . 58.9 t -80.25 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.613 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.8 t70 -114.64 -35.7 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 7.9 p -67.49 141.27 95.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 142.95 28.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.905 HD21 ' O ' ' A' ' 38' ' ' SER . 61.9 mt -81.49 -25.51 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mt-10 -48.42 -58.69 7.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.544 HG22 ' CD1' ' A' ' 51' ' ' ILE . 18.3 mm -51.85 -37.18 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.85 -16.63 51.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -35.21 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 100' ' ' VAL . 3.1 pt -89.68 -9.25 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CD1' HG22 ' A' ' 47' ' ' ILE . 7.2 mt -78.03 -30.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.21 46.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.04 -38.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -91.82 22.86 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -92.02 26.6 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -144.81 119.46 9.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.897 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -44.56 -33.74 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -70.09 -43.3 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mm-40 -62.08 -63.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 15.2 pt20 -42.5 -42.55 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.2 mt -59.21 -65.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -52.04 -39.05 59.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.824 HG23 HD12 ' A' ' 101' ' ' ILE . 17.6 mt -56.73 -48.36 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -51.83 -59.69 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.82 -35.41 76.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.5 -47.96 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.17 -45.01 84.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.924 HG22 HD11 ' A' ' 119' ' ' ILE . 25.1 t -59.66 -48.54 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -42.64 -31.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.74 -45.95 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.688 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -57.47 -50.25 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -49.41 -27.04 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 75' ' ' SER . 20.8 m -86.79 -45.94 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.891 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -47.98 -24.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' THR . 28.1 p -71.95 59.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -169.13 -40.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 74' ' ' LEU . 49.5 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CD2' ' CD2' ' A' ' 133' ' ' TYR . 39.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.62 ' HE2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.32 -31.91 55.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.001 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.66 -47.18 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.8 m -69.09 -25.91 64.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.44 38.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.886 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.2 m-85 -136.78 -51.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -47.96 -30.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.3 p -69.52 -69.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 1.8 p30 -98.75 97.08 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -83.27 -32.84 26.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 2.6 mt-10 -44.64 -56.78 7.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.01 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -52.22 -25.34 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.763 HG21 HG13 ' A' ' 11' ' ' ILE . 6.2 mt -75.9 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -57.63 -52.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 2.9 t80 -53.3 -44.64 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.454 ' HG ' ' HD2' ' A' ' 103' ' ' PHE . 45.6 t -56.38 -50.7 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -51.31 -46.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.824 HD12 HG23 ' A' ' 63' ' ' ILE . 26.0 mm -52.16 -60.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -56.25 -61.58 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.568 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.11 -36.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.53 -68.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.2 m-85 -38.2 -38.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 2.7 m80 -70.33 -51.95 26.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.65 -37.83 87.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.33 81.44 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 26.1 m-85 -148.55 -61.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mt -58.13 146.93 31.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.924 HD11 HG22 ' A' ' 68' ' ' VAL . 6.7 mm -63.14 -65.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -44.25 -30.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -51.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.67 ' O ' HG22 ' A' ' 125' ' ' THR . . . -72.03 -63.12 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.688 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.6 m-85 -39.89 -38.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.3 tp10 -76.9 -39.29 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.03 -25.2 7.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.891 HD12 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -93.42 -63.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.09 -28.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 9.7 t70 -90.41 -60.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 125' ' ' THR . 14.7 t30 -47.72 -45.16 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.001 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt -58.11 -30.94 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.96 2.99 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 25.1 t0 -86.13 -30.99 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.73 -3.71 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 134' ' ' LEU . 5.2 mt -57.72 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 15.6 mm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.13 -46.2 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.25 -50.84 68.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.4 mt-30 -46.5 -39.89 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -51.39 62.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -53.3 -60.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.25 -49.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 15.0 m-85 -67.36 -80.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -39.17 -33.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 15.4 t-20 -59.66 -49.46 77.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' PHE . 12.0 pt20 -84.13 45.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -143.94 -73.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.557 ' CB ' HG23 ' A' ' 42' ' ' VAL . 48.6 t -163.63 97.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -111.24 -65.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.455 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . 46.6 p 37.38 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.03 -73.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -33.27 57.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 20' ' ' THR . 6.3 tp10 -52.3 -25.26 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -72.98 -40.01 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 134' ' ' LEU . 11.2 mt -57.81 -35.21 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -10.95 59.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 1.1 t80 -85.96 -58.04 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -33.28 -36.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' PHE . 2.0 t -82.84 -56.46 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 108.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -44.12 -57.14 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 39.8 m -42.16 -50.1 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -90.27 35.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.0 tp10 -170.51 72.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -150.02 -102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.58 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' H ' ' A' ' 38' ' ' SER . 8.9 t -113.04 -19.98 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 1.5 m-85 63.94 9.88 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' THR . 0.5 OUTLIER -118.31 -3.51 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -117.96 15.93 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.8 t -57.09 -107.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.661 ' N ' HG12 ' A' ' 40' ' ' VAL . 6.2 t0 -121.74 -62.41 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 18' ' ' CYS . 4.3 p -42.31 136.91 2.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.05 144.69 30.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 73.6 mt -81.4 -20.64 40.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -52.67 -58.99 9.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.04 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.806 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 51' ' ' ILE . 33.8 mm -52.44 -36.44 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 12.7 mtpp -63.41 -15.89 58.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -35.26 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.78 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -85.61 -9.63 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 8.6 mt -80.03 -23.83 11.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.62 39.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -107.71 -30.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.6 p -100.6 20.13 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -55.18 -51.51 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.1 152.48 39.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.33 -26.01 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 m-20 -69.48 -40.85 76.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -45.46 93.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.95 -59.58 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.13 -29.26 65.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.826 HG21 HD21 ' A' ' 110' ' ' LEU . 6.4 mt -66.83 -47.02 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -51.53 -57.4 9.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -62.53 -40.31 96.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.7 mt -56.69 -43.47 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 123' ' ' TYR . . . -57.95 -44.22 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 72' ' ' LYS . 39.0 t -63.02 -40.03 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.7 t-20 -38.5 -31.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' VAL . 3.1 t-20 -93.69 -62.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.461 ' HA ' HD12 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -40.16 -41.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.585 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -56.01 -51.6 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ASN . 22.8 m -73.78 -32.93 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.564 HD23 ' CG2' ' A' ' 77' ' ' VAL . 1.1 mt -59.75 -15.64 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -84.1 47.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -169.98 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.564 ' CG2' HD23 ' A' ' 74' ' ' LEU . 16.3 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.468 0.175 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.54 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 11.7 tmm? -54.61 -17.34 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.961 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -66.96 -45.3 78.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -52.51 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.89 -22.9 50.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 1.01 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 17.1 t80 -86.51 -16.04 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -49.83 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.5 p -69.24 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.0 m120 -79.16 98.71 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.884 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -88.1 -37.48 16.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 2.0 mt-10 -46.75 -50.55 42.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.01 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -50.62 -34.23 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 92' ' ' SER . 1.8 mt -66.61 -59.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -51.93 -50.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.44 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.46 -56.7 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.78 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -47.37 -41.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 HG23 ' A' ' 63' ' ' ILE . 5.5 mm -70.39 -45.78 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.448 ' OH ' ' CB ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -59.84 -54.22 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.803 ' CE2' ' CE1' ' A' ' 27' ' ' PHE . 1.7 m-85 -49.76 -46.79 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' TYR . 45.6 mt -56.06 -74.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.62 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 10.3 m-85 -36.86 -64.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.591 ' CE1' ' HG2' ' A' ' 124' ' ' GLU . 11.2 m-70 -44.44 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 4.1 m-30 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . 126.78 97.68 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 46.1 m-85 -162.12 -63.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.826 HD21 HG21 ' A' ' 63' ' ' ILE . 2.3 mt -53.16 157.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.658 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.658 ' H ' HG23 ' A' ' 118' ' ' ILE . 5.3 mm -62.53 -58.92 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -43.06 -31.32 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -58.02 6.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.83 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.603 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.4 m-85 -37.52 -34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.591 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 89.7 mt-10 -85.58 -42.71 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.27 -21.73 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.709 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.6 mt -95.57 -62.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.493 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -39.76 -29.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.8 t0 -90.21 -63.84 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 36.6 m-20 -43.81 -43.56 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.0 tt -57.4 -41.63 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -65.69 -10.57 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 23.0 t0 -75.1 -44.76 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 1.3 m-30 -74.72 -46.96 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 25' ' ' LEU . 27.1 mt -43.6 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.5 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.036 ' HD3' HD11 ' A' ' 97' ' ' ILE . 2.7 mmmt -35.98 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.5 tp10 -57.99 -55.87 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.512 ' HG3' HD23 ' A' ' 10' ' ' LEU . 3.1 pt20 -55.6 -30.62 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.93 HD12 ' HD2' ' A' ' 7' ' ' LYS . 11.1 mt -69.43 -41.1 76.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -58.82 -58.55 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.3 p -41.24 -52.42 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 10' ' ' LEU . 19.7 m-30 -50.26 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.98 -45.74 71.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.1 m-20 -54.22 -31.19 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.49 2.57 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -110.59 -78.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.66 -172.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -79.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 p -41.31 163.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.22 28.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.628 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 5.2 mt-30 -70.33 -4.84 24.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' PHE . 6.1 pt-20 -37.11 -35.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -69.26 -57.26 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.5 mt -60.85 -24.53 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.85 -21.95 21.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' GLU . 33.3 t80 -76.37 -59.54 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.22 -29.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -89.31 -58.37 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 108.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -39.03 -41.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.893 HG22 ' CD2' ' A' ' 106' ' ' HIS . 45.8 m -78.4 53.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER 157.95 -23.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -98.15 31.66 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 t -134.66 -104.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.87 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 38' ' ' SER . 14.8 t -126.27 -161.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -96.64 -28.96 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.547 ' H ' HG23 ' A' ' 36' ' ' THR . 32.6 t -80.01 3.41 20.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -103.48 -29.7 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 30' ' ' SER . 61.4 t -54.38 153.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.17 60.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.9 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 4.6 p -164.77 133.47 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.98 149.09 36.29 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.494 1.786 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.88 -26.73 33.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.1 mt-10 -46.14 -57.4 8.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.459 HG22 HD12 ' A' ' 51' ' ' ILE . 24.5 mm -49.38 -43.78 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.65 -21.11 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.75 -42.3 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 100' ' ' VAL . 3.9 pt -81.01 2.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.3 mt -98.64 -24.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -89.12 35.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -113.71 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.4 p -90.89 24.33 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -83.43 -27.07 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.91 131.61 34.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 58' ' ' ASN . 3.6 tt0 -45.26 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.6 m-80 -33.78 -40.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -58.63 -59.12 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 pt20 -50.37 -40.45 49.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.19 -60.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -31.92 46.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.912 HG21 HD21 ' A' ' 110' ' ' LEU . 14.5 mt -62.39 -41.72 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -58.34 -50.89 72.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -70.4 -35.14 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.09 -48.91 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -54.08 -45.31 71.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 64' ' ' THR . 20.8 t -62.4 -38.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -42.26 -28.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.08 -53.41 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -49.24 -45.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -45.43 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -75.17 -36.79 61.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.718 HD23 HG21 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -57.45 -17.59 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.01 31.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.718 HG21 HD23 ' A' ' 74' ' ' LEU . 22.5 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 23.1 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.525 0.203 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -8.9 31.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.924 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -68.75 -49.64 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -35.66 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 2.4 t80 -83.81 53.01 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 3.4 m-85 -172.38 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -49.74 -45.69 49.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.2 p -69.08 -60.09 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 42.9 m-20 -89.07 106.83 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.485 ' C ' HD12 ' A' ' 96' ' ' ILE . 70.2 m -85.42 -41.99 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.1 tt0 -40.24 -52.35 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.5 Cg_endo -74.97 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.26 -21.0 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -77.72 -55.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.036 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.3 mp -50.32 -60.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.539 ' N ' HG22 ' A' ' 97' ' ' ILE . 55.3 t80 -46.43 -53.67 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' VAL . 20.3 m -59.64 -71.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.811 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -38.36 -41.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HG23 ' A' ' 63' ' ' ILE . 13.5 mm -67.44 -58.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 58.0 t80 -36.45 -63.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 4.4 t80 -52.1 -50.82 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 54' ' ' THR . 52.4 mt -51.07 -36.32 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.628 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 2.0 m-85 -82.15 -58.29 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.893 ' CD2' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -37.55 -70.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 6.4 m-85 -152.57 64.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.83 -112.64 2.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.3 m-85 -131.06 -19.05 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.912 HD21 HG21 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -49.74 134.96 19.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.1 mttm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.667 HD11 HG22 ' A' ' 68' ' ' VAL . 7.2 mm -41.27 -63.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 13.3 ttpt -39.19 -39.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.2 tptt -64.79 -61.7 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.637 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.74 -65.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.765 ' CE1' HD13 ' A' ' 71' ' ' ILE . 2.4 m-85 -40.63 -41.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.8 tt0 -75.39 -36.92 60.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -52.01 -27.52 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.912 ' O ' HG22 ' A' ' 130' ' ' ILE . 16.0 mt -91.24 -63.41 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.7 -27.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 131' ' ' ALA . 8.6 m-20 -87.88 -63.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -47.13 -44.34 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -65.04 -34.94 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -70.24 -7.24 40.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 12.8 t0 -80.64 -25.16 38.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -96.47 -34.94 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 25' ' ' LEU . 54.0 mt -56.0 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 10.5 t-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 7' ' ' LYS . 8.7 mm . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -29.84 -52.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.94 10.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.0 mt-30 -49.53 -32.85 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HD2' ' A' ' 7' ' ' LYS . 14.1 mt -62.39 -59.85 4.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -38.47 -55.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -54.82 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE2' ' OD1' ' A' ' 49' ' ' ASN . 12.6 m-30 -58.73 -71.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -44.4 -53.3 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.91 -37.24 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -88.41 40.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -140.91 -65.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.89 -179.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.253 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.32 -73.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.7 p -85.09 -178.39 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -92.11 -37.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -74.7 -4.98 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -35.8 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -64.59 -49.46 71.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 HD21 ' A' ' 134' ' ' LEU . 5.6 mt -55.15 -32.98 62.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.04 -21.25 40.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 1.3 t80 -74.52 -60.84 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' NE ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -38.58 -30.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -88.29 -64.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -45.61 -54.71 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.812 HG21 ' CG ' ' A' ' 106' ' ' HIS . 2.5 m -38.88 -42.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 33.99 5.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -170.54 60.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.56 -82.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.82 -74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.825 HG22 ' HB2' ' A' ' 39' ' ' SER . 11.2 t -126.11 -150.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -103.4 -36.57 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.514 ' H ' HG23 ' A' ' 36' ' ' THR . 4.9 t -80.84 5.01 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.825 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.3 OUTLIER -104.41 -30.15 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 27' ' ' PHE . 53.7 t -45.43 164.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.902 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.4 t70 -65.87 -163.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.902 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 55.95 141.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 148.28 35.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 34.6 mt -81.73 -38.34 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -37.43 -56.96 1.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 50' ' ' ILE . 15.4 mm -44.14 -51.48 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -29.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.58 ' OD1' ' CE2' ' A' ' 13' ' ' PHE . 4.6 t-20 -73.66 -41.61 62.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -82.88 6.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE1' ' A' ' 109' ' ' PHE . 2.7 mt -99.9 -23.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.51 39.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -111.71 -23.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 63' ' ' ILE . 1.7 p -108.4 28.18 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -64.74 -68.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.66 148.78 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 61' ' ' ILE . 7.0 pm0 -67.05 -27.94 67.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 16.2 t-20 -64.98 -25.84 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 38.4 mm-40 -72.66 -58.71 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -43.6 -43.47 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 57' ' ' GLU . 6.1 mt -64.83 -65.01 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 66' ' ' ILE . 25.5 mt-10 -51.68 -27.23 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.894 HG21 HD11 ' A' ' 110' ' ' LEU . 65.5 mt -73.03 -54.67 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.97 -60.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -37.8 75.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -60.54 -41.72 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -58.99 -43.93 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG2' HD11 ' A' ' 119' ' ' ILE . 45.1 t -62.03 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -39.96 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 2.6 t-20 -89.66 -60.87 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD13 ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -44.59 -44.77 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -50.33 70.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.6 m -66.93 -33.51 75.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.746 HD23 HG21 ' A' ' 77' ' ' VAL . 4.5 mt -62.96 -13.28 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.66 37.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -168.55 31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.746 HG21 HD23 ' A' ' 74' ' ' LEU . 68.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.527 0.203 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -71.02 -3.96 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.022 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.99 -46.72 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.7 -42.66 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -79.91 56.16 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.781 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 4.5 t80 -148.73 -48.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -41.2 86.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.5 p -71.22 -64.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.6 m-20 -94.04 102.59 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 96' ' ' ILE . 56.5 m -86.83 -41.72 13.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -41.57 -50.67 9.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.04 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.58 -24.93 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 97' ' ' ILE . 1.2 mt -74.32 -55.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.045 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -54.52 -41.51 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CE2' ' CE2' ' A' ' 102' ' ' TYR . 13.6 t80 -71.41 -23.71 61.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 52.0 t -83.65 -69.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.09 -38.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.668 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -73.8 -50.35 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.609 ' CE2' ' CE2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -41.73 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.47 -44.4 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 104' ' ' LEU . 13.0 mt -49.97 -42.96 49.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -81.16 -55.49 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.812 ' CG ' HG21 ' A' ' 31' ' ' THR . 2.2 m80 -37.78 -60.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.591 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 87.3 m-85 -163.13 64.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.67 -108.65 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 51' ' ' ILE . 7.0 m-85 -126.38 -34.43 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 63' ' ' ILE . 3.4 mt -48.79 149.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.74 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.74 ' N ' HG23 ' A' ' 118' ' ' ILE . 1.9 mp -38.43 -57.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -42.13 -52.35 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -54.49 34.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.699 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.16 -64.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.666 ' CD1' HD13 ' A' ' 71' ' ' ILE . 3.1 m-85 -41.61 -44.96 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -69.75 -34.81 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -57.0 -27.71 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 74' ' ' LEU . 6.8 mt -92.88 -60.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . . . -41.51 -28.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 17.9 t70 -86.43 -60.38 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -49.91 -49.2 50.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.022 HD11 ' HB2' ' A' ' 85' ' ' ALA . 7.5 tt -54.86 -19.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -90.09 20.17 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.29 -25.66 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.571 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -112.53 -31.56 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.799 HD21 HD13 ' A' ' 25' ' ' LEU . 81.3 mt -45.61 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 6' ' ' ILE . 18.8 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.055 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.28 -55.96 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.405 ' O ' ' OE2' ' A' ' 8' ' ' GLU . 1.2 tm-20 -53.84 -46.37 71.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.41 -28.36 29.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 7' ' ' LYS . 10.8 mt -68.48 -57.38 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -41.02 -58.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLN . 25.1 p -43.53 -64.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 19.4 m-85 -42.59 -72.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -46.1 -44.33 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.51 -31.87 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' SER . 4.4 mt-30 -73.9 -10.49 59.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -89.1 -74.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -84.98 -167.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' THR . 80.4 p -150.45 -52.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 23' ' ' GLU . 62.2 p -44.39 170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -25.76 14.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ASP . 59.7 mt-30 -76.79 1.59 16.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 22' ' ' GLN . 81.8 mt-10 -33.78 -46.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -62.34 -55.97 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.704 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.4 mt -67.52 -10.86 55.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . 11.3 m-20 -90.62 -34.27 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.7 m-30 -67.4 -66.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.73 -31.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.2 m -90.54 -79.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' ASP . 66.1 m -38.35 -57.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 29.7 m -36.67 -43.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 31.97 6.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' CYS . 16.7 mm-40 -140.82 33.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.3 t -135.15 -101.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.74 -53.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 37' ' ' PHE . 11.6 t -124.75 -151.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' N ' HG23 ' A' ' 36' ' ' THR . 13.9 m-85 -104.39 -43.76 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.643 ' HB2' HD11 ' A' ' 44' ' ' LEU . 29.8 t -69.46 -6.51 30.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.586 ' HB2' HG22 ' A' ' 36' ' ' THR . 22.6 t -85.03 -28.05 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG21 ' HZ ' ' A' ' 107' ' ' PHE . 59.5 t -55.47 161.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 8.0 t70 -85.06 63.96 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.1 p -166.0 140.35 3.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.483 ' C ' ' HD2' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.97 145.29 31.39 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 38' ' ' SER . 32.8 mt -81.7 -33.55 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -41.06 -55.96 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.97 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.678 HG22 ' CD1' ' A' ' 51' ' ' ILE . 19.7 mm -47.42 -50.44 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.1 mtpt -50.59 -22.79 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 6.6 t-20 -78.61 -39.07 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -84.71 0.03 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 47' ' ' ILE . 21.1 mt -97.59 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -89.95 37.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.65 -33.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.818 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -97.18 24.79 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -68.17 -69.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.78 134.84 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.708 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.18 -21.26 21.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.21 -48.29 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -56.57 -55.35 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -53.13 -40.8 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.2 mt -61.61 -59.55 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.28 -29.1 57.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.818 ' CD1' HG22 ' A' ' 54' ' ' THR . 36.7 mt -73.19 -51.38 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -42.02 -63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 64' ' ' THR . 1.8 mttp -55.39 -42.26 73.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -48.72 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.65 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -58.48 -42.71 88.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 64' ' ' THR . 39.5 t -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -40.51 -51.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' THR . 4.5 t-20 -74.47 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.607 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -40.75 -59.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -47.82 -41.09 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASN . 23.4 m -72.69 -30.9 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 77' ' ' VAL . 6.2 mt -61.33 -13.04 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 p -84.39 42.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.6 m -170.41 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.674 ' CG1' ' CE1' ' A' ' 87' ' ' PHE . 72.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.474 0.178 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 74' ' ' LEU . 8.7 tpt -73.22 -4.68 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.74 -53.78 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t -53.22 -26.37 17.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.674 ' CE1' ' CG1' ' A' ' 77' ' ' VAL . 4.0 m-85 -83.35 47.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 3.6 t80 -125.87 -43.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -32.31 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 15.1 p -49.92 -44.92 50.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.496 ' HB3' ' CD ' ' A' ' 94' ' ' PRO . 16.7 m120 -166.93 134.42 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.4 p -84.7 -43.64 14.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.685 ' OE1' HD11 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -38.27 -52.59 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.496 ' CD ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.04 -50.37 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.28 -27.23 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 mt -70.17 -56.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.055 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -51.31 -43.46 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.02 -32.15 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' TYR . 51.4 t -74.4 -69.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.658 HG22 HD12 ' A' ' 50' ' ' ILE . 1.5 t -42.03 -54.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 6.2 mm -50.25 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.805 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -38.63 -68.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.791 ' CZ ' ' CE2' ' A' ' 107' ' ' PHE . 24.8 t80 -40.07 -60.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' PHE . 45.5 mt -38.7 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 1.043 ' CE2' HD13 ' A' ' 110' ' ' LEU . 13.4 m-85 -47.24 -50.79 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.511 ' HE2' ' HD2' ' A' ' 102' ' ' TYR . 6.1 m-70 -45.82 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.791 ' CE2' ' CZ ' ' A' ' 103' ' ' PHE . 3.9 m-30 -51.17 -31.62 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.26 63.23 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -124.38 -46.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -68.28 137.19 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' ILE . 2.7 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.666 HG21 ' CE2' ' A' ' 105' ' ' TYR . 20.3 mm -38.65 -68.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ILE . 3.5 ttpt -40.19 -47.99 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -50.72 -49.56 57.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.85 -66.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.805 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 11.7 m-30 -46.04 -24.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -84.37 -36.99 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -62.39 -29.03 70.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.556 HD13 HD22 ' A' ' 74' ' ' LEU . 2.3 mt -90.33 -54.14 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -39.63 -30.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -87.58 -52.15 5.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.35 -32.12 56.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.1 tt -82.72 -27.09 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.77 4.63 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.8 -22.21 29.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -104.82 -23.8 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 131' ' ' ALA . 19.7 mt -48.82 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 26.8 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.95 -53.66 52.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -56.9 -42.39 79.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.604 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.3 mt-30 -50.78 -38.65 49.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 7.8 mt -64.39 -54.18 36.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.3 mp -50.43 -65.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -33.11 -54.25 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 6.3 m-30 -54.7 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 5.6 t80 -63.77 -9.14 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -83.08 -35.15 25.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 6.2 pt20 -82.2 7.6 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -108.73 -66.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 23' ' ' GLU . 32.0 p -57.04 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.334 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -77.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -73.13 165.97 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -77.11 -18.74 57.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.556 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -88.61 0.86 55.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.76 -39.4 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.563 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 24.0 ptt85 -63.41 -52.18 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 134' ' ' LEU . 7.4 mt -64.31 -27.66 69.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' SER . 2.2 t70 -82.44 -25.29 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -69.24 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -36.81 -34.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.53 -75.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 29' ' ' CYS . 8.7 t -33.66 -38.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 99.2 m -77.76 50.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 33' ' ' GLU . 10.0 ptt180 -176.29 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 32' ' ' ARG . 2.2 mt-10 -90.78 27.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.4 p -120.94 -109.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -171.49 -58.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 37' ' ' PHE . 15.1 t -115.78 -145.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.737 ' CD1' ' CG ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -114.7 -27.01 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.616 ' H ' HG23 ' A' ' 36' ' ' THR . 40.1 t -77.02 -4.16 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -93.9 -31.69 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' VAL . 75.2 t -59.22 151.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.48 72.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.4 p -175.89 130.71 0.4 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 150.32 38.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.0 mt -80.87 -31.5 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 mt-10 -42.38 -58.78 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 50' ' ' ILE . 2.3 mm -45.76 -48.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -46.63 -27.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -77.01 -42.32 39.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.963 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -78.76 1.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.844 HD12 HG22 ' A' ' 47' ' ' ILE . 10.7 mt -102.35 -38.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -60.13 -14.9 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -67.3 -29.53 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.771 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.3 p -106.84 18.24 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 15.5 mmtt -93.92 25.17 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' NE2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.15 138.37 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.5 tt0 -48.23 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 57' ' ' GLU . 22.9 m120 -32.47 -45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 56' ' ' ASP . 3.4 mp0 -64.05 -67.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -47.51 -32.78 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.03 -63.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.6 mt-10 -53.2 -27.42 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 110' ' ' LEU . 18.9 mt -71.93 -54.59 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -40.49 -58.16 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' N ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -62.93 -50.24 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.2 mt -46.52 -44.55 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 119' ' ' ILE . 15.5 t -68.1 -42.64 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.52 -29.03 61.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' CG ' ' CE1' ' A' ' 98' ' ' PHE . 27.8 m120 -92.35 -36.82 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -66.72 -49.75 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 73' ' ' THR . 4.4 ptmt -47.46 -38.8 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 4.1 m -73.46 -35.3 65.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.715 HD23 HG21 ' A' ' 77' ' ' VAL . 3.2 mt -58.41 -17.5 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.29 34.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.97 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD23 ' A' ' 74' ' ' LEU . 41.2 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 133' ' ' TYR . 21.5 m-30 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.525 0.203 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 19.2 mmt -72.11 -39.52 68.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -58.69 -46.06 88.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -41.23 -54.68 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -46.42 -39.34 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.9 t80 -55.64 -21.43 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -61.57 -57.19 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 61.9 p -74.27 -71.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.407 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 1.1 t-20 -82.63 82.57 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 96' ' ' ILE . 57.6 p -89.43 -47.93 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 6.4 mt-10 -42.52 -50.63 12.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.94 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.454 1.765 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.632 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.86 -20.79 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.555 HG21 ' CG1' ' A' ' 11' ' ' ILE . 1.5 mt -76.05 -60.4 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.2 mp -40.69 -33.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CE1' ' CG ' ' A' ' 70' ' ' ASN . 5.1 m-30 -71.82 -47.51 52.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ILE . 16.6 t -44.19 -41.05 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.963 HG22 HD12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -69.6 -42.44 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 123' ' ' TYR . 3.3 mm -62.79 -34.84 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 3.6 m-85 -61.77 -73.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -36.39 -50.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 54' ' ' THR . 86.0 mt -50.0 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.9 m-85 -51.83 -24.81 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.1 OUTLIER -61.32 -34.3 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.574 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.737 ' CG ' ' CD1' ' A' ' 37' ' ' PHE . 15.2 m-85 -115.76 39.54 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PHE . . . 36.63 58.88 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.23 -47.03 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -62.94 138.54 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.8 mm -56.92 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 2.4 tttp -37.69 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' ILE . 3.6 tptt -63.82 -60.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.687 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.87 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.789 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 10.5 m-85 -43.51 -32.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.6 tt0 -78.58 -37.74 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.4 t -61.22 -25.69 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.657 HD12 HD13 ' A' ' 74' ' ' LEU . 3.7 mt -95.17 -56.75 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.592 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.6 -29.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 27.0 t0 -90.42 -59.06 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 2.7 m120 -47.21 -44.74 22.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.7 tt -57.09 -32.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.87 1.76 11.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 41.1 t0 -85.96 -32.01 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 83' ' ' TYR . 9.3 p90 -131.88 37.31 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.07 -79.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -40.23 -52.89 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -36.32 55.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 10' ' ' LEU . 5.3 mt -57.65 -56.82 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.799 HG13 HG21 ' A' ' 96' ' ' ILE . 1.1 mp -46.61 -69.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' HG22 ' A' ' 11' ' ' ILE . 29.7 m -38.57 -67.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 50' ' ' ILE . 5.6 m-30 -37.67 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -43.01 -36.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.2 t-20 -51.58 -37.5 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.0 mt-30 -86.72 40.82 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -145.25 -71.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.94 -167.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.338 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -84.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -60.06 179.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.18 -40.93 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASP . 7.7 mt-30 -52.49 -28.55 20.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -42.19 -49.17 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' NH2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.96 -60.93 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.654 ' HA ' HD11 ' A' ' 28' ' ' ILE . 13.9 mt -59.77 -20.83 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -83.09 -31.31 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -69.44 -60.71 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 25' ' ' LEU . 3.3 pt -39.26 -30.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -87.27 -60.24 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.351 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.02 -63.04 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.746 HG21 ' HB3' ' A' ' 106' ' ' HIS . 5.4 m -48.54 -22.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 33.9 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -169.54 41.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.7 m -164.12 87.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -35.25 39.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -67.9 -21.3 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 40.4 m-85 48.45 21.31 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.83 ' H ' HG23 ' A' ' 36' ' ' THR . 8.7 t -121.95 -6.25 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -89.15 -10.18 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.47 156.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -66.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.608 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.7 p -50.39 136.84 23.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 149.7 37.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 38' ' ' SER . 11.0 mt -81.4 -24.63 36.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.4 mt-10 -48.76 -58.94 7.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.773 HD13 HD11 ' A' ' 50' ' ' ILE . 4.1 mm -52.29 -36.39 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -13.38 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' PRO . 29.9 t30 -88.9 -36.87 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.02 HD12 HG22 ' A' ' 100' ' ' VAL . 6.0 pt -85.1 -1.67 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.599 ' HA ' HD21 ' A' ' 104' ' ' LEU . 14.0 mt -88.3 -40.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.85 -13.11 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 50' ' ' ILE . 5.9 tp -53.15 -31.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.451 HG22 HD13 ' A' ' 63' ' ' ILE . 6.0 p -100.12 20.98 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.94 -39.13 91.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.07 145.12 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.8 pt-20 -65.56 -33.28 75.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.77 -45.53 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.95 -54.81 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mt -50.38 -65.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.1 tt0 -53.05 -27.65 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.782 HG21 HD21 ' A' ' 110' ' ' LEU . 13.4 mt -73.79 -52.72 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -40.69 -59.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.12 -47.26 85.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.1 mt -51.67 -41.02 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' THR . . . -59.3 -43.93 92.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' ASN . 43.6 t -64.53 -48.34 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -40.98 -29.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -95.49 -53.56 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -48.7 -49.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -42.37 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -57.76 -29.97 65.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.001 HD13 HD12 ' A' ' 126' ' ' ILE . 36.6 mt -82.13 48.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.47 -6.88 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.908 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 63.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 126' ' ' ILE . 1.1 mpt? -56.88 -19.89 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.881 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -62.4 -46.78 87.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -49.86 -24.61 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 77' ' ' VAL . 1.5 t80 -87.65 50.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 1.019 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 18.4 t80 -143.02 -44.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -45.54 73.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -51.89 -40.99 61.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 70.7 m-20 -137.8 108.33 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.868 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -84.36 -44.05 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -37.73 -52.85 2.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.019 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -48.51 -31.26 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 92' ' ' SER . 2.0 mt -71.85 -57.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.573 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -60.52 -35.49 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.747 ' CZ ' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -71.71 -27.36 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 9.0 t -75.32 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 1.02 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.13 -54.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.0 mm -51.27 -58.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.771 ' HE2' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -43.93 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 107' ' ' PHE . 1.3 t80 -34.12 -59.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' A' ' 51' ' ' ILE . 24.7 mt -44.35 -67.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.7 m-85 -54.09 -49.16 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.746 ' HB3' HG21 ' A' ' 31' ' ' THR . 0.0 OUTLIER -52.56 -51.5 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 2.9 m-85 -68.47 -36.8 79.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.09 77.75 1.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -141.05 -53.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.782 HD21 HG21 ' A' ' 63' ' ' ILE . 1.5 mt -59.46 151.69 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.648 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.6 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.839 HG22 ' CD2' ' A' ' 123' ' ' TYR . 13.6 mm -48.19 -71.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -42.24 -47.21 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -43.94 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.03 -64.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.4 m-85 -40.48 -31.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.76 -42.55 21.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.23 -28.19 10.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 1.001 HD12 HD13 ' A' ' 74' ' ' LEU . 15.4 mt -90.78 -62.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -39.73 -29.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -82.06 -64.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 3.4 t-20 -49.79 -48.94 50.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.881 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -55.82 -22.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.82 10.39 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 51.6 t0 -74.07 -55.48 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -76.28 -20.41 57.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.6 mt -49.95 -80.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 53' ' ' ILE . 11.7 mm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.626 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -31.47 -47.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -57.2 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -47.99 -40.56 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.26 -60.67 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -39.64 -61.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.1 t -38.98 -62.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 18.3 m-85 -53.72 -72.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -43.08 -36.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.49 -41.41 96.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.9 mt-30 -73.0 -3.3 25.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -107.25 -88.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 15.8 p -97.7 110.47 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -72.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -40.91 152.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -75.63 -47.78 25.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.655 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.23 -35.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.79 -35.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.05 -52.32 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.688 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.6 mt -67.06 -21.09 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-20 -81.67 -26.55 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.7 m-30 -72.72 -66.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -38.62 -32.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' PHE . 49.2 t -90.21 -76.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 19.6 m -40.79 -61.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 106' ' ' HIS . 30.2 m -39.31 -51.46 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.69 34.84 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -167.88 50.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -136.88 -102.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -170.92 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 38' ' ' SER . 1.1 t -131.85 170.57 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 107' ' ' PHE . 3.0 m-85 -64.28 -38.68 91.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.785 ' CA ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -78.45 4.56 12.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 36' ' ' THR . 9.4 t -100.2 -18.72 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 41' ' ' ASP . 97.8 t -72.07 164.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -68.38 -57.19 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 47' ' ' ILE . 6.0 p -44.08 138.12 3.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 145.21 31.2 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD11 ' CA ' ' A' ' 38' ' ' SER . 12.6 mt -82.11 -28.66 32.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -45.87 -57.37 8.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HD12 ' A' ' 51' ' ' ILE . 11.3 mm -45.78 -50.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -47.25 -27.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.598 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -75.38 -42.61 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 100' ' ' VAL . 2.3 pt -82.51 4.57 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.669 HD12 HG22 ' A' ' 47' ' ' ILE . 10.6 mt -102.36 -29.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.61 36.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -108.05 -38.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.767 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -89.76 14.13 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -7.28 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.6 m-20 -104.8 139.48 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' ASN . 1.9 tt0 -50.88 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.2 m-20 -35.36 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -64.42 -59.15 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' CG ' ' HD3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -57.53 -27.78 62.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 2.4 mt -76.39 -56.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.07 -31.34 65.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.781 HG21 HD21 ' A' ' 110' ' ' LEU . 15.6 mt -65.81 -51.39 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.97 -58.75 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -43.82 97.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.4 mt -53.07 -54.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.66 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 119' ' ' ILE . 6.8 t -64.74 -51.82 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.9 t30 -39.75 -31.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.517 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -97.84 -54.87 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -46.13 -56.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.92 -36.32 7.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 m -76.87 -32.31 57.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -60.15 -15.46 24.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -65.2 -10.38 31.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.074 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -8.85 24.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 74' ' ' LEU . 7.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.528 0.204 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . 2.0 tmt? -36.04 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.16 -45.64 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 0.4 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.2 m-85 -85.43 44.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 1.006 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 14.9 t80 -132.62 -45.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 20.1 p -64.42 -48.69 74.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.7 p -56.39 -56.42 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 35.8 p-10 -113.17 101.86 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 96' ' ' ILE . 1.4 m -84.26 -41.7 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.5 mt-10 -38.0 -53.46 2.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.162 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.49 ' CG ' ' HB2' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.006 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -47.48 -27.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 92' ' ' SER . 1.4 mt -76.24 -59.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -51.4 -35.49 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -63.42 -63.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 -59.26 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.954 HG22 HD12 ' A' ' 50' ' ' ILE . 4.2 t -43.86 -61.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.2 mm -53.58 -46.07 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 123' ' ' TYR . 1.2 m-85 -57.68 -75.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -36.47 -51.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.03 -50.05 65.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.3 m-85 -68.82 -44.17 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.527 ' HB3' HG22 ' A' ' 31' ' ' THR . 17.1 m-70 -41.4 -60.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 22.3 m-85 -67.21 -63.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 13.8 m-85 -91.34 -58.15 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -55.44 147.07 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.562 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.893 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.9 mm -59.4 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -46.71 -25.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.23 -65.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.893 ' CD2' HG22 ' A' ' 119' ' ' ILE . 3.5 m-85 -41.47 -40.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.85 -38.06 73.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -57.22 -28.28 62.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.64 HD13 HD22 ' A' ' 74' ' ' LEU . 3.2 mt -93.94 -56.43 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 130' ' ' ILE . . . -46.8 -25.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 71.2 m-20 -89.37 -60.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -49.95 -34.93 22.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.9 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -69.72 -30.86 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.83 2.96 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -82.06 -30.75 31.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -93.17 -18.78 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 131' ' ' ALA . 23.4 mt -59.14 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 9' ' ' GLN . 31.2 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.685 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.93 -29.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.2 tt0 -64.64 -52.05 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.28 -28.36 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 7.8 mt -63.06 -47.97 80.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.85 -58.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -41.4 -63.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HD2' HG22 ' A' ' 50' ' ' ILE . 4.6 m-30 -36.53 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.791 ' CD1' HG21 ' A' ' 50' ' ' ILE . 1.2 m-85 -30.48 -48.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.5 t-20 -37.95 -46.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.4 pt20 -80.89 47.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -160.48 -73.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 28.9 p -132.46 106.75 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 27.68 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -77.59 -159.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -104.99 -53.87 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' ASP . 23.0 mt-30 -74.81 -2.3 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -37.53 -35.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG3' HD23 ' A' ' 25' ' ' LEU . 1.6 ptp85 -77.53 -50.69 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' HG3' ' A' ' 24' ' ' ARG . 12.9 mt -68.7 -7.96 38.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLN . 3.0 m-20 -87.78 -38.75 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.2 m-85 -67.11 -61.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 130' ' ' ILE . 2.2 pt -49.3 -25.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 46.5 t -86.93 -73.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.259 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -41.71 -48.77 4.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 HG21 ' CE2' ' A' ' 102' ' ' TYR . 86.7 m -48.37 -41.18 27.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.05 18.64 15.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -148.23 48.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -168.8 91.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -48.82 -29.89 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.749 HG23 ' N ' ' A' ' 37' ' ' PHE . 1.8 t -103.59 -155.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.749 ' N ' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -123.95 -37.73 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.932 ' HA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -61.65 -13.07 19.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -80.4 -48.74 12.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -43.49 146.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.935 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.4 t0 -56.97 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' ASP . 3.4 p 56.68 142.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 147.47 33.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 38' ' ' SER . 24.9 mt -82.03 -11.77 58.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mt-10 -61.87 -59.8 12.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.562 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -75.06 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 50' ' ' ILE . 6.7 mm -51.74 -40.82 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.0 -12.4 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 7.3 t-20 -85.05 -37.25 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.791 HG21 ' CD1' ' A' ' 14' ' ' PHE . 29.6 pt -85.85 -7.75 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.5 mt -77.82 -23.23 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -90.07 26.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -100.76 -28.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.57 HG22 HD13 ' A' ' 63' ' ' ILE . 4.4 p -98.65 -17.49 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -44.08 -44.12 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 6.6 m-20 -63.71 144.59 56.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 2.2 tt0 -58.75 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' GLU . 72.5 m-20 -37.46 -35.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 4.4 mm-40 -57.89 -54.11 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 2.5 mm-40 -51.53 -52.61 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -63.56 -52.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -55.2 -29.7 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 110' ' ' LEU . 22.4 mt -67.96 -46.68 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.99 -56.66 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.44 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 -47.76 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.58 -44.99 85.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 64' ' ' THR . 36.8 t -60.03 -38.6 77.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -51.95 -22.71 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -92.29 -37.69 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.685 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -69.86 -49.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -52.23 -26.3 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 m -86.94 -41.59 13.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.939 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -49.32 -26.83 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.85 62.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.9 OUTLIER -170.19 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.57 HG21 HD23 ' A' ' 74' ' ' LEU . 21.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE2' ' CD1' ' A' ' 133' ' ' TYR . 52.1 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mmt -77.09 0.53 21.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.905 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -82.3 -44.34 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . 55.5 m -63.49 -46.23 87.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -48.88 -55.83 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.4 m-85 -61.35 -16.25 44.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -63.83 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.1 p -70.08 -41.99 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.505 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 3.9 t-20 -93.34 89.4 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ILE . 52.4 p -86.5 -47.37 9.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -37.37 -53.4 2.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -75.0 -47.13 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -53.7 -22.82 9.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 97' ' ' ILE . 1.9 mt -78.57 -57.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.555 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -54.29 -36.08 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.43 -59.74 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.9 -65.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 14' ' ' PHE . 2.3 t -41.96 -59.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.795 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.3 mm -51.16 -66.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.613 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 61.6 t80 -35.88 -64.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -45.75 -44.48 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 108' ' ' GLY . 25.0 mt -62.04 -73.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -39.41 -60.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CE1' ' CE1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.69 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -149.73 76.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -141.88 -106.43 0.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' ILE . 22.3 m-85 -131.5 -30.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.904 HD11 HG21 ' A' ' 63' ' ' ILE . 2.0 mt -48.19 154.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 2.2 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 68' ' ' VAL . 6.9 mm -42.49 -69.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.464 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 2.1 ptmt -42.72 -32.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.52 -54.25 39.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.84 -62.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -37.78 -36.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 28.8 tt0 -81.9 -43.05 18.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -44.55 -27.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.939 HD12 HD13 ' A' ' 74' ' ' LEU . 14.6 mt -90.97 -63.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -41.24 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -83.05 -61.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -50.02 -44.25 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.905 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -62.51 -28.99 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -84.63 3.71 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.47 -27.42 22.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -100.81 -19.9 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 131' ' ' ALA . 10.7 mt -51.94 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 4.2 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' GLN . 11.7 mm . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -42.52 -39.12 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -44.62 96.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 mt-30 -55.06 -33.95 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.14 -42.6 84.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.978 ' CG1' HD13 ' A' ' 96' ' ' ILE . 1.2 mp -60.03 -61.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -39.29 -58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 4.2 m-85 -42.48 -90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 20' ' ' THR . 0.1 OUTLIER -43.98 -36.65 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -59.19 -38.07 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 4.1 pt20 -89.45 28.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -118.5 -65.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -132.21 156.22 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -58.89 -16.47 17.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.935 HG23 ' O ' ' A' ' 18' ' ' CYS . 43.6 p 42.38 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.458 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 80.52 -56.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 4.2 pt20 -95.68 -34.29 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -57.29 -47.89 80.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 25' ' ' LEU . 10.6 ptt180 -43.31 -47.41 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 28' ' ' ILE . 4.3 mt -64.34 -35.44 80.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.4 t0 -84.92 -7.09 59.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 40' ' ' VAL . 62.6 t80 -89.47 -58.36 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -37.99 -31.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.26 -61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.273 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.504 ' HA ' ' HG3' ' A' ' 33' ' ' GLU . 38.0 m -46.96 -48.51 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.773 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 23.8 m -55.46 -17.04 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.46 31.78 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -171.14 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 m -118.32 -93.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.85 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.5 t -116.48 -151.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -104.29 -40.49 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -71.13 -5.12 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -88.95 -32.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 27' ' ' PHE . 98.7 t -57.01 147.92 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.885 ' O ' HG12 ' A' ' 42' ' ' VAL . 12.1 t0 -53.91 163.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.911 HG23 ' HB2' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 91.88 135.47 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.03 158.75 41.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 69.3 mt -84.12 -15.86 45.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 mt-10 -56.32 -56.33 32.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.95 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 47' ' ' ILE . 7.0 mm -48.58 -50.48 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.5 -15.54 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.609 ' CG ' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t-20 -84.36 -34.79 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.8 HD12 HG22 ' A' ' 100' ' ' VAL . 9.3 pt -87.46 -21.67 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 109' ' ' PHE . 5.0 mt -66.74 -21.93 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 29.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -109.75 -24.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.724 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.9 p -111.73 20.57 16.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -71.6 -55.93 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.65 132.11 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.721 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -55.85 -29.96 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 90.9 m-20 -67.97 -34.62 76.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.02 -46.71 64.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.01 -37.05 68.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 57' ' ' GLU . 7.0 mt -71.54 -57.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -35.47 70.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.868 ' CG2' HD21 ' A' ' 110' ' ' LEU . 28.6 mt -59.91 -44.94 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -53.64 -56.21 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.11 82.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -51.39 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.48 -40.96 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 64' ' ' THR . 37.9 t -65.24 -54.17 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.5 t30 -38.93 -30.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -97.04 -54.59 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -46.79 -50.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -51.7 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -61.43 -33.48 73.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.4 mt -61.27 -14.41 26.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.02 47.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.7 m -169.94 -66.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.537 HG13 ' CG ' ' A' ' 87' ' ' PHE . 5.1 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' A' ' 133' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.538 0.209 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.585 ' SD ' HG21 ' A' ' 126' ' ' ILE . 49.3 ttp -63.96 -22.46 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.009 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.16 -43.23 98.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -32.2 70.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CG ' HG13 ' A' ' 77' ' ' VAL . 24.1 t80 -90.27 23.81 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -32.37 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 t -64.17 -49.38 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.7 p -60.17 -49.87 75.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -101.24 99.66 10.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 53.1 p -86.27 -48.01 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.489 ' CG ' ' HE2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -37.75 -53.23 2.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.74 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.978 HD13 ' CG1' ' A' ' 11' ' ' ILE . 9.8 mt -72.02 -66.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.565 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -52.74 -40.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -48.43 -69.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -47.13 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.35 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.8 HG22 HD12 ' A' ' 50' ' ' ILE . 1.4 t -39.23 -53.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.498 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -55.34 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 26.1 t80 -40.41 -57.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 5.8 t80 -37.72 -64.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' TYR . 4.5 mt -49.56 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.3 m-85 -34.41 -58.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.8 t60 -39.84 -61.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.565 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.773 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -165.63 76.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -142.94 -104.24 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 5.7 m-85 -121.84 -38.12 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD21 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -50.16 136.2 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.894 HG22 ' CD2' ' A' ' 123' ' ' TYR . 31.9 mm -41.68 -62.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -43.62 -36.64 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -69.8 -44.3 70.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 125' ' ' THR . . . -66.28 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.894 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.5 m-85 -42.28 -35.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.34 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -54.35 -28.14 40.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.585 HG21 ' SD ' ' A' ' 84' ' ' MET . 4.7 mt -92.96 -57.85 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.62 -29.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.6 OUTLIER -87.44 -57.69 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 1.9 t30 -48.79 -45.35 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.009 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.8 tt -58.71 -30.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.62 2.18 26.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 6.2 t70 -87.33 -22.79 24.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -102.09 -25.53 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 44.6 mt -50.4 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 3.3 t30 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.7 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -39.83 -44.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -48.28 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -57.07 -37.42 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 13.5 mt -56.88 -45.26 82.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.476 HG13 HD13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.13 -56.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 9.2 m -42.4 -63.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 1.9 m-85 -37.68 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 1.031 ' CE1' HG21 ' A' ' 100' ' ' VAL . 1.9 m-85 -32.21 -46.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.8 t-20 -39.09 -45.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.3 mt-30 -81.42 46.54 0.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -159.88 -76.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m -160.52 120.25 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -145.94 21.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -78.18 -165.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -115.72 -44.5 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -64.24 -52.12 60.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 41' ' ' ASP . 23.9 mt-10 -54.45 -36.12 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mtm-85 -59.62 -54.39 46.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 134' ' ' LEU . 3.8 mt -56.7 -32.05 65.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.53 -22.22 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -72.37 -60.87 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.43 -30.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.455 ' N ' ' C ' ' A' ' 27' ' ' PHE . 49.1 t -86.23 -75.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -39.47 -53.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.841 HG21 ' ND1' ' A' ' 106' ' ' HIS . 17.3 m -38.1 -56.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 29.38 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -170.22 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -127.1 -103.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.47 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 38' ' ' SER . 5.4 t -99.04 -18.9 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.618 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 19.0 m-85 63.82 10.47 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.774 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -126.14 1.01 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 36' ' ' THR . 1.1 m -126.54 18.61 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 41' ' ' ASP . 52.9 t -48.36 -96.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' HG12 ' A' ' 40' ' ' VAL . 16.7 t0 -139.02 -54.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 p -58.8 140.29 86.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.04 147.85 34.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.529 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 22.2 mt -82.17 -31.98 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.8 mt-10 -42.96 -58.0 4.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -75.04 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 15.8 mm -49.47 -49.58 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.3 mttm -59.29 -16.15 20.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 9.9 t-20 -78.59 -35.01 46.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.822 HG21 ' CD1' ' A' ' 14' ' ' PHE . 33.1 pt -85.82 -36.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 9.6 mt -46.66 -24.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.64 36.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.1 tp -110.48 -35.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.618 ' CG2' HG23 ' A' ' 53' ' ' ILE . 2.1 p -104.27 23.85 12.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -73.29 -34.94 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 169.36 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.6 -51.35 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -58.99 -18.3 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -56.02 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -49.7 -41.23 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 61.3 mt -63.79 -62.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -35.02 59.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.975 HG21 HD21 ' A' ' 110' ' ' LEU . 39.5 mt -62.76 -50.9 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.81 -58.47 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -47.54 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.92 -45.07 74.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 119' ' ' ILE . 15.7 t -68.28 -33.32 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -61.39 -31.78 71.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -92.87 -36.64 12.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.677 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -65.05 -47.11 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -47.44 -24.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 71' ' ' ILE . 33.0 m -88.01 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.944 HD13 HD12 ' A' ' 126' ' ' ILE . 2.6 mt -54.56 -19.8 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.84 28.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 74' ' ' LEU . 21.7 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 126' ' ' ILE . 1.3 tmm? -51.3 -20.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.915 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.94 -42.67 38.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 90' ' ' THR . 52.3 m -63.67 -36.13 82.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' VAL . 14.6 t80 -52.57 -37.48 58.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE1' ' SD ' ' A' ' 84' ' ' MET . 76.5 m-85 -60.04 -39.2 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 -49.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 86' ' ' SER . 53.3 p -49.76 -49.86 46.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 29.3 m-80 -139.04 107.81 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 96' ' ' ILE . 22.2 m -85.47 -35.07 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.0 mt-10 -46.65 -54.42 19.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.5 Cg_endo -74.95 -43.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 88' ' ' PHE . . . -57.4 -21.15 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.476 HD13 HG13 ' A' ' 11' ' ' ILE . 3.5 mt -78.94 -63.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.444 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -43.05 -59.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -50.32 -49.09 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.9 t -50.38 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.345 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 1.031 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -46.29 -36.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -69.75 -77.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 5.6 t80 -43.29 -27.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.625 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 11.8 t80 -61.98 -60.5 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 54' ' ' THR . 1.8 mt -56.57 -18.48 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 4.6 m-85 -90.73 -39.6 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.841 ' ND1' HG21 ' A' ' 31' ' ' THR . 0.4 OUTLIER -78.4 1.51 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.601 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CD2' ' NE2' ' A' ' 106' ' ' HIS . 2.1 m-85 -129.19 -41.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 109' ' ' PHE . . . 109.01 105.56 2.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 3.8 m-85 -176.35 -42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.975 HD21 HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -64.48 133.89 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 123' ' ' TYR . 6.4 mm -58.91 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 0.4 OUTLIER -41.09 -30.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -54.21 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.27 -70.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' A' ' 119' ' ' ILE . 14.0 m-30 -39.78 -31.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 9.5 mm-40 -84.6 -42.2 15.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -53.37 -22.81 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD13 ' A' ' 74' ' ' LEU . 9.5 mt -97.16 -62.43 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.47 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -45.7 -25.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 131' ' ' ALA . 34.8 t0 -90.86 -59.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 125' ' ' THR . 56.7 m-20 -47.42 -37.27 11.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.915 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.6 tt -67.94 -37.44 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.66 -11.01 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.42 -29.08 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.6 OUTLIER -90.54 -34.04 15.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 25' ' ' LEU . 68.0 mt -59.9 -70.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 6' ' ' ILE . 22.8 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.7 ' CD ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -35.66 -59.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.47 -52.08 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 1.8 mt-30 -49.99 -40.7 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.6 mt -66.77 -61.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.537 HD12 ' NZ ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -39.48 -62.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -38.43 -68.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 50' ' ' ILE . 9.4 m-30 -43.73 -64.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t80 -57.94 -14.64 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.4 t-20 -76.07 -36.88 58.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.01 -3.43 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.908 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -105.38 -81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.597 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 58.9 m -154.07 114.24 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -119.68 -92.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' SER . 15.0 p 35.07 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' GLN . 67.0 m170 -111.62 -77.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.641 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.8 mm100 -36.19 -45.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -35.9 -43.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.58 -68.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD21 ' A' ' 134' ' ' LEU . 13.4 mt -56.17 -30.07 61.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.74 -26.54 60.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -70.49 -63.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.675 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -39.37 -30.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' PHE . 25.3 m -88.05 -60.27 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p -45.75 -47.69 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.975 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 1.9 m -76.47 54.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 174.97 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -92.21 30.17 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -122.52 -102.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.91 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -127.91 -158.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HB2' ' CD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -101.56 -31.21 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.552 ' OG ' HD11 ' A' ' 44' ' ' LEU . 43.5 t -82.89 7.26 15.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -103.84 -25.72 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 52.1 t -51.95 158.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -62.12 -57.05 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.908 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.9 p -38.24 136.77 0.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD11 ' OG ' ' A' ' 38' ' ' SER . 26.3 mt -82.64 -21.47 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.68 -57.61 13.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 42' ' ' VAL . 15.9 mm -48.19 -42.5 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -51.91 -27.23 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -75.72 -42.7 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.923 HD12 HG22 ' A' ' 100' ' ' VAL . 2.1 pt -82.51 5.12 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.596 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.9 mt -99.16 -24.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.71 37.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.35 -28.88 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 63' ' ' ILE . 4.3 p -103.98 20.85 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -62.21 -56.49 18.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.5 148.79 47.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 61' ' ' ILE . 15.2 pt-20 -65.02 -49.1 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 1.4 m-20 -49.04 -34.9 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ILE . 15.7 mm100 -66.12 -58.5 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 40.7 mt-30 -45.16 -44.59 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.7 mt -67.7 -63.0 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.3 mt-10 -49.68 -26.56 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.744 HG23 ' CD1' ' A' ' 101' ' ' ILE . 52.1 mt -72.32 -46.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -48.73 -52.44 23.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -43.34 80.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -52.7 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -52.47 -44.45 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 17.1 t -66.11 -49.0 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' VAL . 26.6 t30 -36.51 -39.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' THR . 28.7 t-20 -88.59 -59.32 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -40.57 -52.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.87 -45.09 10.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.5 m -66.87 -34.25 77.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 mt -61.07 -15.19 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 m -79.6 52.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.2 t -170.36 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.576 HG21 ' HG3' ' A' ' 84' ' ' MET . 22.4 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.501 0.191 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HG21 ' A' ' 77' ' ' VAL . 4.1 mpp? -76.03 1.19 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -81.25 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -23.35 62.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 3.6 t80 -87.72 47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 13.4 m-85 -153.68 -43.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -40.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 19.8 p -84.28 -59.59 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.503 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.7 t-20 -80.32 89.32 5.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.2 p -87.05 -48.66 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -37.56 -53.36 2.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.503 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.99 -48.68 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.11 -21.36 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.6 mt -78.59 -53.34 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.7 HD11 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.12 -45.14 77.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 123' ' ' TYR . 5.2 t80 -62.93 -36.1 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -59.42 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.923 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -53.3 -39.09 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.744 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -71.13 -55.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.618 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 56.0 t80 -38.82 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -53.66 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.3 mt -44.97 -51.77 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 2.8 m-85 -66.05 -47.18 75.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.827 ' CD2' HG22 ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.551 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.975 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -170.19 60.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -119.44 -107.87 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 51' ' ' ILE . 6.5 m-85 -120.9 -31.95 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 63' ' ' ILE . 3.0 mt -49.83 152.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.445 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.721 ' N ' HG23 ' A' ' 118' ' ' ILE . 7.0 mm -38.79 -58.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -39.14 -45.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.68 -62.21 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 125' ' ' THR . . . -51.54 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.676 ' CD1' HG22 ' A' ' 119' ' ' ILE . 5.8 m-85 -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -82.19 -39.94 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -50.04 -32.97 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 74' ' ' LEU . 6.1 mt -85.47 -61.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.95 -28.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.6 m-20 -82.7 -64.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER -49.96 -51.68 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -53.81 -20.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -90.55 22.54 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 129' ' ' ASN . 0.9 OUTLIER -89.5 -55.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -19.6 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 25' ' ' LEU . 31.6 mt -56.01 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 mm . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.598 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -47.17 -63.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -48.74 -43.97 38.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.73 -41.39 81.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.518 ' C ' ' CE2' ' A' ' 14' ' ' PHE . 17.8 mt -53.23 -57.54 10.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -41.65 -55.66 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -40.24 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 50' ' ' ILE . 11.5 m-30 -31.82 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 1.01 ' CE1' HG21 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -32.67 -51.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' PHE . 3.5 t30 -39.31 -45.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 15.4 mt-30 -81.08 46.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -157.55 -74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.575 ' CB ' HG23 ' A' ' 42' ' ' VAL . 52.3 t -162.74 83.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -83.65 -69.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.9 p 37.99 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.4 m-70 -137.49 -99.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.655 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -35.01 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' HIS . 31.4 mm-40 -39.4 -38.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' HD23 ' A' ' 25' ' ' LEU . 12.7 ptt-85 -54.36 -47.47 72.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.642 ' HA ' HD11 ' A' ' 28' ' ' ILE . 16.0 mt -62.3 -26.98 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.84 -9.1 52.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -89.83 -57.92 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -38.97 -30.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 4.8 t -90.36 -61.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -46.75 -55.72 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 35.8 m -42.03 -49.53 4.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 26.92 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -159.54 45.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -128.78 -99.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -170.66 -54.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' PHE . 3.1 t -137.31 -169.69 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 4.4 m-85 -91.4 -46.41 8.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.777 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -62.62 -12.63 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 36' ' ' THR . 3.3 m -78.78 -45.97 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -40.81 159.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 36.2 t0 -78.52 75.28 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 47' ' ' ILE . 5.4 p -175.56 135.01 0.48 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.04 148.33 34.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 38' ' ' SER . 35.3 mt -82.31 -34.76 28.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -40.52 -57.34 3.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 42' ' ' VAL . 10.4 mm -48.62 -34.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.85 -21.01 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' PRO . 10.7 t-20 -83.2 -40.06 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.797 HG22 ' HB3' ' A' ' 13' ' ' PHE . 3.7 pt -76.98 -4.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.571 ' CD1' HG22 ' A' ' 47' ' ' ILE . 3.7 mt -89.69 -33.27 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -68.79 -24.57 64.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -55.03 -23.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -113.99 15.71 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 23.3 mmtt -95.78 31.82 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -140.43 134.75 31.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.1 tt0 -42.34 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 12.6 p-10 -38.67 -48.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 20.8 mm-40 -51.34 -50.8 58.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.6 mt-30 -55.19 -50.66 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.81 -53.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.3 mt-10 -54.57 -38.46 66.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.876 HG21 HD21 ' A' ' 110' ' ' LEU . 21.7 mt -59.36 -52.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.14 -60.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -60.61 -47.45 86.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.3 mt -48.61 -42.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.55 HG12 ' HG3' ' A' ' 72' ' ' LYS . 47.9 t -64.35 -43.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 65.4 t30 -39.68 -31.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.3 t30 -92.7 -58.46 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -44.5 -52.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -40.07 -42.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.0 m -89.13 -33.96 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 HG21 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -61.93 -17.15 55.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 35.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.21 -66.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.181 HG11 ' CD2' ' A' ' 87' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.519 0.2 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -78.94 4.37 14.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -92.77 -46.17 7.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -51.33 -44.65 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 1.181 ' CD2' HG11 ' A' ' 77' ' ' VAL . 4.3 m-30 -47.9 -38.84 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -60.73 -21.45 62.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -61.37 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.9 p -80.85 -45.67 16.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.2 m-20 -87.35 76.98 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 96' ' ' ILE . 4.0 m -90.41 -50.84 5.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -47.06 -48.29 53.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.03 -46.9 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.48 -23.55 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.573 HG22 HD12 ' A' ' 97' ' ' ILE . 1.7 mt -71.91 -59.68 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.598 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -51.24 -50.65 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.71 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 1.6 t80 -58.3 -50.75 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . 43.3 t -41.38 -63.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 1.01 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -47.42 -58.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 63' ' ' ILE . 22.9 mm -42.94 -50.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -57.55 -53.37 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 107' ' ' PHE . 4.6 t80 -51.14 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 100' ' ' VAL . 7.5 mt -44.14 -49.0 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 2.0 m-85 -59.49 -43.68 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.8 OUTLIER -79.96 -2.76 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -110.87 -2.07 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.81 90.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -161.43 -60.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG21 ' A' ' 63' ' ' ILE . 1.6 mt -58.5 151.01 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.576 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 24.6 mm -40.51 -61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.0 -48.17 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -42.2 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.636 ' O ' HG22 ' A' ' 125' ' ' THR . . . -78.96 -63.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.729 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.6 m-85 -42.54 -34.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.62 -38.42 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.85 -31.46 39.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 130' ' ' ILE . 8.3 mt -86.52 -60.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.51 -27.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.0 t70 -85.44 -63.01 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 41.6 t-20 -49.58 -47.05 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -56.5 -23.05 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -85.49 6.86 25.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 29.4 t0 -76.96 -56.74 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -15.69 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 131' ' ' ALA . 12.0 mt -57.82 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' LYS . 6.1 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.739 ' HZ2' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -39.02 -60.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -45.27 -46.39 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.45 -38.62 90.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.93 -48.8 78.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -48.9 -62.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.6 m -37.73 -41.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 4.2 m-30 -78.91 140.75 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' SG ' ' A' ' 99' ' ' CYS . 2.4 t80 75.99 -48.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.01 -33.66 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.47 5.21 40.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.72 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' OE2' ' A' ' 23' ' ' GLU . 5.4 p -50.67 174.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.23 -85.94 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -46.56 167.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -86.47 -29.17 22.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -80.55 -4.32 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -38.99 -39.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 3.2 mpt_? -68.04 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.8 mt -46.38 -28.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -39.93 18.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.5 t80 -57.93 -65.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -36.18 -33.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -80.1 -73.43 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -34.52 -36.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.646 HG23 ' ND1' ' A' ' 106' ' ' HIS . 12.2 m -46.42 -44.54 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -116.85 32.12 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -172.01 73.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 t -151.93 -98.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.28 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.511 HG22 ' CB ' ' A' ' 39' ' ' SER . 4.0 t -140.27 -173.28 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.18 -43.46 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.46 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.1 t -72.8 -2.22 19.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.511 ' CB ' HG22 ' A' ' 36' ' ' THR . 1.5 m -93.09 -35.98 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -40.62 152.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -45.89 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.654 ' CG1' ' CE1' ' A' ' 103' ' ' PHE . 4.9 p -50.23 128.36 23.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.96 151.64 39.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 13.7 mt -81.45 -30.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -42.79 -57.54 4.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.819 HG21 ' CE2' ' A' ' 103' ' ' PHE . 16.3 mm -50.86 -35.94 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -64.54 -21.01 66.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -87.02 -26.15 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -88.66 -25.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 ' HA ' HD21 ' A' ' 104' ' ' LEU . 3.0 mt -60.71 -23.22 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.06 -25.26 63.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.599 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.5 tp -53.13 -32.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.741 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -107.96 28.58 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -55.64 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.12 -177.68 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.3 mm-40 -80.36 -50.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.4 m120 -37.06 -33.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 52.1 mm-40 -74.66 -64.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.56 -38.9 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.6 mp -61.26 -65.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -55.73 -36.93 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 110' ' ' LEU . 63.7 mt -58.31 -52.2 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.79 -59.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.22 76.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -44.45 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.61 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 64' ' ' THR . 41.7 t -64.98 -49.63 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -41.14 -31.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.92 -54.54 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.592 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -46.9 -50.26 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.89 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.6 m -61.19 -41.25 96.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 126' ' ' ILE . 0.6 OUTLIER -40.12 -34.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.97 62.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.17 -39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' SER . 41.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.783 ' CE1' ' CD1' ' A' ' 133' ' ' TYR . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.557 0.218 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.07 -31.62 19.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -51.11 -55.44 17.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.9 p -48.89 -26.92 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -83.95 47.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -140.82 -43.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 t -45.81 -51.86 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -92.9 -42.61 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -89.35 78.38 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 29.8 p -90.53 -52.23 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.5 mt-10 -46.84 -47.56 52.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.99 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASN . . . -59.25 -19.31 44.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -77.56 -51.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.739 HD11 ' HZ2' ' A' ' 7' ' ' LYS . 1.5 mp -57.21 -39.73 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.669 ' CE1' ' CZ ' ' A' ' 123' ' ' TYR . 5.2 t80 -70.36 -35.37 73.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.583 ' SG ' ' CE1' ' A' ' 14' ' ' PHE . 7.5 t -57.43 -58.22 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -54.08 -48.38 64.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.872 ' CD1' HG23 ' A' ' 63' ' ' ILE . 4.0 mm -58.88 -52.54 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -34.99 -66.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.4 t80 -55.65 -60.95 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 51' ' ' ILE . 10.2 mt -34.98 -35.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.585 ' CE2' HD13 ' A' ' 110' ' ' LEU . 3.5 m-85 -90.35 -48.26 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.746 ' CE1' ' HB2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -37.14 -58.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.746 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 17.2 m-85 -167.76 49.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.19 3.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.457 ' CE1' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -129.21 -26.03 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -48.57 140.19 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.2 mttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 105' ' ' TYR . 13.5 mm -42.57 -66.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -43.52 -44.8 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -51.49 67.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.782 ' O ' HG22 ' A' ' 125' ' ' THR . . . -65.25 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.669 ' CZ ' ' CE1' ' A' ' 98' ' ' PHE . 6.3 m-85 -41.28 -32.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.44 -41.42 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 122' ' ' ALA . 2.5 t -51.16 -27.38 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.817 HD12 HD13 ' A' ' 74' ' ' LEU . 7.6 mt -92.69 -60.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -38.95 -30.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -85.1 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 33.0 t30 -51.27 -47.91 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -55.67 -31.18 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -75.93 -2.48 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.4 t0 -74.63 -27.26 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 83' ' ' TYR . 5.7 m-85 -97.69 -28.29 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.582 HD21 HD13 ' A' ' 25' ' ' LEU . 33.6 mt -68.87 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.2 mm . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.61 -39.91 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -61.32 -42.15 98.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' ILE . 4.2 mm-40 -57.01 -35.12 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.76 -42.98 85.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.801 HG13 HD13 ' A' ' 96' ' ' ILE . 1.1 mp -50.53 -68.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.631 ' N ' HG22 ' A' ' 11' ' ' ILE . 13.4 t -41.47 -58.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.4 m-30 -45.53 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.6 t80 -45.56 -41.02 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 34.3 t-20 -58.2 -33.25 69.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.7 mm100 -73.86 -3.86 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -99.23 -73.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.87 -164.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.43 -81.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -41.51 157.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.441 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -81.53 -35.7 30.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.11 14.11 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.22 -41.12 71.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 1.5 ptm85 -61.3 -31.46 71.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.669 ' HA ' HD11 ' A' ' 28' ' ' ILE . 6.1 mt -70.51 -40.83 73.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -10.8 59.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 103' ' ' PHE . 55.2 t80 -88.96 -61.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.48 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -83.05 -69.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -44.4 -49.86 9.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.002 HG21 ' CG ' ' A' ' 106' ' ' HIS . 24.5 m -37.74 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -135.8 31.94 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -149.19 35.36 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -132.43 -104.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 38' ' ' SER . 14.7 t -113.95 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -122.68 0.56 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.51 ' H ' HG23 ' A' ' 36' ' ' THR . 22.6 t -96.52 -5.03 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' C ' ' A' ' 40' ' ' VAL . 38.0 t -108.58 -73.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 41' ' ' ASP . 80.3 t 22.95 -109.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.712 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.7 t70 -151.56 32.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.1 p -158.19 131.88 4.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 150.91 38.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' O ' ' A' ' 37' ' ' PHE . 12.7 mt -81.18 -29.23 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -44.2 -58.69 4.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.04 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 51' ' ' ILE . 17.9 mm -46.99 -49.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -48.86 -26.02 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.6 t-20 -77.86 -39.14 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.002 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -83.25 0.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.649 ' CD1' HG22 ' A' ' 47' ' ' ILE . 17.7 mt -94.55 -26.38 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 41.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 HG23 HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -109.93 -34.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.743 HG22 ' CD1' ' A' ' 63' ' ' ILE . 2.2 p -95.17 29.49 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -67.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.29 163.76 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -79.46 -27.57 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 83.1 m-20 -61.04 -45.07 96.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -62.73 -54.14 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -43.96 -41.32 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 62' ' ' GLU . 4.9 mt -62.87 -74.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 66' ' ' ILE . 33.2 mt-10 -37.84 -56.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.862 ' CG2' HD11 ' A' ' 110' ' ' LEU . 94.1 mt -40.91 -65.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -34.71 -35.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ILE . 7.5 mttt -83.62 -48.62 10.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -50.24 -27.33 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -80.45 -47.34 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 64' ' ' THR . 33.8 t -62.57 -54.54 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -41.08 -31.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.3 m-20 -84.38 -45.12 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -59.83 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -54.07 -26.89 29.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -88.71 -33.32 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 84' ' ' MET . 2.3 mt -63.26 -12.99 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 52.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.14 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' SER . 2.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 74' ' ' LEU . 6.8 tpt -56.46 -23.5 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.994 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.06 -45.76 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -43.36 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.15 53.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.908 ' CE2' ' HB1' ' A' ' 95' ' ' ALA . 44.0 t80 -152.66 -43.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -67.84 -39.56 83.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -59.71 -62.37 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.507 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 84.1 m-20 -106.25 117.31 33.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.71 -40.43 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.6 mp0 -42.15 -50.94 10.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.908 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -51.02 -28.33 9.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.801 HD13 HG13 ' A' ' 11' ' ' ILE . 4.8 mt -71.78 -57.46 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -55.32 -51.78 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -45.4 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -41.03 -64.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 1.002 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -40.23 -49.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 66' ' ' ILE . 9.1 mm -63.56 -56.2 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -50.81 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 m-30 -36.14 -53.78 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 65.9 mt -48.16 -53.73 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.6 m-85 -66.03 -48.0 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 1.002 ' CG ' HG21 ' A' ' 31' ' ' THR . 0.2 OUTLIER -46.58 -50.73 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 33.4 m-85 -79.65 -62.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.92 92.61 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -148.36 -63.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.862 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -53.11 143.5 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.666 HD11 HG22 ' A' ' 68' ' ' VAL . 14.4 mm -52.69 -74.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -40.84 -41.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -56.6 -50.16 72.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.749 ' O ' HG22 ' A' ' 125' ' ' THR . . . -70.75 -62.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.0 m-85 -38.84 -48.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.65 -37.8 85.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -53.59 -28.11 30.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.447 ' C ' ' N ' ' A' ' 128' ' ' ASP . 10.1 mt -90.89 -62.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.89 -28.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.7 m-20 -83.3 -53.16 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.994 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -58.23 -21.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.68 2.86 47.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.48 -28.4 22.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -99.09 -12.95 20.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 131' ' ' ALA . 9.8 mt -53.28 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.5 mp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -32.77 -68.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -45.9 -46.51 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -61.2 -41.71 97.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 53' ' ' ILE . 17.4 mt -62.57 -52.46 63.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.805 HG13 HG21 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -38.86 -52.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -54.08 -62.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' ND2' ' A' ' 49' ' ' ASN . 3.5 m-30 -39.74 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 100' ' ' VAL . 34.2 t80 -45.1 -26.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t30 -68.65 -40.25 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -71.21 -13.48 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . . . -80.52 -71.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 27' ' ' PHE . 2.0 t -51.45 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.81 -85.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 p -93.95 -162.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.71 -54.77 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.64 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.18 -43.92 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -54.33 32.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -62.92 -17.63 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.94 -27.39 33.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 m-30 -73.09 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.3 pt -38.33 -30.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.37 -52.1 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.8 t -57.61 -62.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 27' ' ' PHE . 20.1 m -38.81 -60.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -36.21 61.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' SER . 2.0 mm-40 -97.88 33.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -154.6 83.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -27.18 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.463 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 14.7 t -95.06 -169.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.68 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -125.58 -1.17 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -99.41 -0.52 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -13.86 21.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 41' ' ' ASP . 48.6 t -74.66 160.63 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.2 t70 -70.33 -53.73 15.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 4.6 p -41.49 138.67 1.57 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 148.51 35.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD21 ' O ' ' A' ' 37' ' ' PHE . 31.5 mt -81.86 -39.59 23.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.2 mt-10 -36.36 -57.14 1.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.97 -52.47 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 42' ' ' VAL . 7.9 mm -44.7 -54.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.0 mttt -44.49 -26.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CE2' ' A' ' 13' ' ' PHE . 23.7 t-20 -75.71 -44.79 40.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 HD12 HG22 ' A' ' 100' ' ' VAL . 2.7 pt -78.36 0.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 48' ' ' LYS . 46.6 mt -90.3 -31.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.15 46.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 54' ' ' THR . 0.4 OUTLIER -131.55 -48.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.536 HG23 ' CG2' ' A' ' 53' ' ' ILE . 18.1 p -86.44 13.12 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.42 -64.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.83 134.9 20.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -62.31 -28.73 69.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -19.58 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -43.37 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -59.28 -35.32 73.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 64' ' ' THR . 8.8 mt -65.74 -64.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.12 -33.09 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.902 HG21 HD11 ' A' ' 110' ' ' LEU . 31.9 mt -63.02 -45.94 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -50.53 -54.18 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.19 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -62.21 -48.78 86.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -52.45 -44.15 65.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 64' ' ' THR . 29.2 t -59.99 -42.57 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -44.83 -67.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' ND2' ' H ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -58.94 -50.97 72.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 72' ' ' LYS . 1.2 mm -46.02 -68.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.604 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -40.06 -40.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 75' ' ' SER . 5.0 m -67.2 -46.82 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.958 HD13 HD12 ' A' ' 126' ' ' ILE . 3.6 mt -43.01 -27.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -68.34 64.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -169.6 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' PHE . 40.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.446 0.165 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.564 ' HA ' HG11 ' A' ' 77' ' ' VAL . 4.6 mmt -105.11 -5.4 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.898 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -75.54 -43.06 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -54.88 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.721 ' CD2' HG13 ' A' ' 77' ' ' VAL . 3.5 m-30 -56.48 -101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ASN . 53.2 t80 46.45 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -40.1 -50.5 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.6 p -51.84 -41.12 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.468 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 31.9 p-10 -144.08 94.39 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.609 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -81.48 -44.19 17.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 5.6 mm-40 -35.42 -55.07 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.1 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -49.91 -27.86 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.805 HG21 HG13 ' A' ' 11' ' ' ILE . 1.7 mt -74.02 -65.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -45.0 -30.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.34 -41.08 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 96' ' ' ILE . 2.3 t -70.14 -62.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.69 HG23 ' CD2' ' A' ' 14' ' ' PHE . 2.2 t -44.26 -71.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.581 ' N ' HG12 ' A' ' 100' ' ' VAL . 7.1 mm -37.62 -64.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 106' ' ' HIS . 22.7 t80 -45.17 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.489 ' N ' ' CD2' ' A' ' 102' ' ' TYR . 50.1 t80 -36.21 -43.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 108' ' ' GLY . 33.6 mt -67.47 -76.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.77 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -35.48 -61.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -38.13 -62.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 m-85 -161.82 79.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -149.44 -103.98 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CG ' HG23 ' A' ' 51' ' ' ILE . 4.0 m-85 -124.93 -38.73 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 111.038 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.902 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -49.77 139.06 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.791 ' N ' HD13 ' A' ' 119' ' ' ILE . 1.4 mm -58.53 -29.95 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -29.85 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.07 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.55 -67.33 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.748 ' CE2' HG22 ' A' ' 119' ' ' ILE . 3.2 m-85 -42.42 -37.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -71.67 -38.87 70.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -54.47 -28.94 48.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.958 HD12 HD13 ' A' ' 74' ' ' LEU . 7.3 mt -91.77 -61.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.412 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -46.28 -25.65 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 126' ' ' ILE . 43.2 t0 -83.87 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -46.15 53.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.898 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -60.33 -27.66 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -89.88 4.91 48.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -84.37 -41.14 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 133' ' ' TYR . 0.7 OUTLIER -91.97 -1.71 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 25' ' ' LEU . 8.1 mt -65.47 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' LYS . 4.3 mm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.651 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -37.0 -56.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.22 -53.38 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -46.81 -46.58 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.936 HD22 ' CD1' ' A' ' 53' ' ' ILE . 12.8 mt -61.87 -45.96 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.835 HG12 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -61.97 -59.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -29.9 -57.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -49.27 -64.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 27.2 t80 -60.54 -24.93 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 4.8 t-20 -57.36 -37.2 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 3.3 pt20 -85.37 37.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -144.23 -77.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -126.0 124.32 40.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.323 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.3 p -128.38 -47.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 23' ' ' GLU . 77.8 p -36.88 149.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 11.0 m-70 -83.76 -61.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -43.43 -26.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' OG1' ' A' ' 20' ' ' THR . 12.8 tp10 -64.73 -48.86 73.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -45.98 -54.84 7.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' CD2' ' A' ' 134' ' ' LEU . 7.0 mt -58.59 -36.9 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -9.62 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -85.56 -64.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -38.52 -30.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.42 -63.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' HG13 ' A' ' 40' ' ' VAL . 2.9 m -49.2 -56.41 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.53 HG21 ' CE2' ' A' ' 102' ' ' TYR . 3.0 m -36.96 -40.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.462 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 41.86 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -169.02 58.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -147.17 -102.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.64 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' OG ' ' A' ' 39' ' ' SER . 13.8 t -124.57 -145.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.653 ' N ' HG23 ' A' ' 36' ' ' THR . 3.7 m-85 -107.37 -44.26 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 44' ' ' LEU . 21.2 t -76.56 0.85 18.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 36' ' ' THR . 72.9 m -87.97 -21.56 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 41' ' ' ASP . 59.7 t -60.02 -115.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.609 ' N ' HG12 ' A' ' 40' ' ' VAL . 4.7 t0 -142.09 -56.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.8 p -54.06 134.79 58.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 149.81 37.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.3 mt -81.28 -32.82 33.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -41.37 -58.55 2.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.843 HD13 ' CD1' ' A' ' 50' ' ' ILE . 3.6 mm -45.3 -50.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -26.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' PRO . 16.2 t-20 -78.24 -44.3 25.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.87 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -74.8 -6.97 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -85.1 -28.21 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -15.68 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.936 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -53.11 -31.55 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.997 HG22 ' CD1' ' A' ' 63' ' ' ILE . 30.9 p -100.81 -89.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' N ' ' OG1' ' A' ' 54' ' ' THR . 29.4 mmmt 40.92 44.87 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.56 166.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.4 pm0 -83.65 -33.75 25.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -52.8 -54.86 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.459 ' CB ' ' HA ' ' A' ' 54' ' ' THR . 24.3 mm-40 -64.63 -47.1 79.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 111' ' ' LYS . 13.5 tt0 -53.02 -39.82 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.96 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -28.17 65.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.997 ' CD1' HG22 ' A' ' 54' ' ' THR . 44.7 mt -69.61 -43.22 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -52.7 -56.86 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.63 74.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -47.95 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -58.05 -43.12 86.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 119' ' ' ILE . 44.0 t -60.46 -40.13 83.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -45.52 -26.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' VAL . 7.8 m-80 -99.94 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -53.42 -46.18 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -31.96 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.65 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 126' ' ' ILE . 2.0 mt -54.75 -31.35 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 98.1 p -73.61 58.49 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.509 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -170.4 -37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 74' ' ' LEU . 22.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.596 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 7.2 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.512 0.196 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.698 ' HE1' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -74.53 -31.27 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.0 -45.34 71.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -69.95 -22.8 63.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' A' ' 77' ' ' VAL . 2.1 t80 -90.25 44.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 84' ' ' MET . 5.4 m-85 -130.95 -41.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 t -46.0 -46.87 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 30.0 p -68.92 -67.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 4.5 m-20 -84.82 97.2 9.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.621 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -89.14 -44.57 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 9.0 mt-10 -42.35 -48.74 12.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.04 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.09 -35.35 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.835 HG21 HG12 ' A' ' 11' ' ' ILE . 2.7 mt -67.53 -53.29 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.651 HD11 ' HE2' ' A' ' 7' ' ' LYS . 1.5 mp -60.94 -43.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CZ ' ' HE1' ' A' ' 84' ' ' MET . 1.1 m-85 -43.6 -63.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.69 -53.66 14.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 50' ' ' ILE . 2.0 t -50.54 -76.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.696 ' N ' HG12 ' A' ' 100' ' ' VAL . 2.9 mm -44.4 -62.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.762 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 92.5 t80 -31.82 -59.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.4 -47.73 80.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 22.7 mt -48.97 -34.6 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.8 m-85 -87.98 -60.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.762 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 1.1 m-70 -39.12 -58.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 51.7 m-85 -162.78 77.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.72 -106.54 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 7.7 m-85 -127.35 -35.0 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 ' CG2' ' A' ' 63' ' ' ILE . 4.1 mt -48.7 156.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 22.7 mttt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.969 HD11 HG22 ' A' ' 68' ' ' VAL . 7.5 mm -48.92 -70.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ILE . 11.0 ttpp -38.02 -44.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -51.99 54.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.71 -65.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.733 ' CD2' HG22 ' A' ' 119' ' ' ILE . 1.7 m-85 -38.02 -49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.46 -38.22 77.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -52.96 -29.51 29.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 74' ' ' LEU . 3.9 mt -92.93 -55.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.74 -27.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.4 t0 -89.27 -60.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -51.41 -35.3 38.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 28' ' ' ILE . 1.5 tt -65.96 -23.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -75.57 2.08 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.6 -49.43 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' A' ' 83' ' ' TYR . 6.3 p90 -108.54 37.79 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.95 ' CD2' HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.17 -81.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' LYS . 1.8 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.4 -53.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -49.43 75.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -53.94 -46.6 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.68 -41.98 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.4 mp -62.02 -64.1 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -38.02 -48.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.891 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.3 m-85 -57.02 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -44.21 -29.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.55 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 t30 -59.98 -34.66 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.0 mm-40 -71.93 -7.42 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.694 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -98.27 -81.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.613 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 28.6 p -96.53 145.66 25.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 99.1 p -132.79 -45.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 5.1 p -37.22 152.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -40.75 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASP . 3.2 mm-40 -78.76 3.23 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -26.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.17 -64.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.569 HD11 ' HB1' ' A' ' 85' ' ' ALA . 14.3 mt -54.86 -22.36 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 30' ' ' SER . 69.2 m-20 -85.49 -22.71 28.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.778 ' CD1' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -76.45 -48.04 20.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.633 HG23 ' CE2' ' A' ' 27' ' ' PHE . 4.6 pt -52.23 -31.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.48 -59.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 72.7 m -48.07 -50.64 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.556 HG21 ' HE1' ' A' ' 102' ' ' TYR . 57.6 m -63.31 -8.38 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -138.39 31.01 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 2.8 tt0 -171.28 74.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 t -158.31 -104.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.34 -54.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 38' ' ' SER . 13.3 t -126.54 -163.75 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 26.3 m-85 -99.4 -23.49 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.646 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -86.99 6.02 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -102.11 -33.06 9.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.065 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 41' ' ' ASP . 56.8 t -44.75 165.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.7 t70 -79.92 63.71 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.694 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.0 p -174.82 132.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.98 143.07 28.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 38.1 mt -82.09 -15.13 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -58.26 -58.92 15.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.98 -43.76 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.529 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.4 mm -51.42 -40.65 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -59.79 -16.56 29.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 t30 -88.49 -33.88 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.53 -14.74 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 47' ' ' ILE . 11.9 mt -79.12 -23.06 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 4.8 pt-20 -66.36 -19.14 65.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -51.04 -28.98 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 1.029 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.4 p -105.39 23.39 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -58.59 -57.31 13.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.02 154.7 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.29 -32.89 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.6 -33.15 69.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 85.7 mm-40 -64.87 -55.63 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -43.61 -48.2 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 64' ' ' THR . 2.5 mt -56.17 -74.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 66' ' ' ILE . 2.2 mm-40 -37.74 -57.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.029 ' CD1' HG22 ' A' ' 54' ' ' THR . 90.0 mt -40.24 -63.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -35.04 -36.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.59 -47.05 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -53.57 -25.74 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.778 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -79.33 -48.18 14.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.954 HG22 HD11 ' A' ' 119' ' ' ILE . 47.3 t -59.22 -48.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.3 t-20 -39.26 -42.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' THR . 62.0 t30 -81.91 -57.5 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.642 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -42.94 -54.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.58 -43.34 17.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -68.32 -33.59 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.964 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -58.43 -17.5 21.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.1 m -86.06 46.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.08 -67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.912 HG21 ' SD ' ' A' ' 84' ' ' MET . 3.8 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 133' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.472 0.177 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 77' ' ' VAL . 17.5 mmt -73.48 -3.96 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.926 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -73.7 -45.01 54.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . 32.1 t -60.64 -52.35 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.545 ' CD1' HG13 ' A' ' 77' ' ' VAL . 9.5 t80 -45.23 -45.13 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.1 m-85 -65.69 -25.69 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.4 t -76.74 -51.28 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.0 p -50.78 -44.0 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 40.5 m-80 -121.36 100.91 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.694 ' O ' HD12 ' A' ' 96' ' ' ILE . 38.4 m -87.48 -13.44 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -69.0 -51.75 17.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -39.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.71 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 92' ' ' SER . 13.0 mt -67.48 -62.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -46.27 -50.88 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.721 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -65.17 -23.71 67.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -60.99 -40.98 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.887 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -72.35 -36.42 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 66' ' ' ILE . 36.4 mm -54.38 -69.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.778 ' CZ ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -44.29 -49.97 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.673 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 1.9 t80 -44.06 -65.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' PHE . 5.0 mt -44.0 -56.73 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.625 ' CE2' HD13 ' A' ' 110' ' ' LEU . 15.4 m-85 -54.84 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.52 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 14.9 m80 -47.66 -43.61 26.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 37' ' ' PHE . 11.1 m-85 -86.63 24.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 39.64 73.29 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -138.36 -47.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.837 HD11 ' CG2' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -69.81 132.36 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.954 HD11 HG22 ' A' ' 68' ' ' VAL . 8.2 mm -52.27 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -40.2 -34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -70.99 -51.22 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -55.16 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.721 ' CD1' ' CE1' ' A' ' 98' ' ' PHE . 6.7 m-85 -41.18 -44.97 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -37.32 84.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.06 -31.98 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.964 HD12 HD13 ' A' ' 74' ' ' LEU . 8.9 mt -87.6 -60.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 131' ' ' ALA . . . -41.06 -29.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 126' ' ' ILE . 3.8 t70 -82.01 -49.61 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 126' ' ' ILE . 2.5 t-20 -62.47 -53.25 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.9 tt -56.58 -32.69 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -73.29 -4.26 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.7 t70 -84.2 -36.24 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -85.6 -23.43 27.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 131' ' ' ALA . 30.5 mt -47.88 -79.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.959 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mm . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -46.81 -43.78 18.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.5 -45.57 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.31 -39.18 60.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD2' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -60.47 -58.93 6.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 96' ' ' ILE . 0.8 OUTLIER -42.44 -57.78 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -38.43 -62.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 21.1 m-85 -55.63 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -39.77 -45.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -50.59 -44.75 57.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 8.5 pt20 -85.83 43.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.848 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -147.95 -74.21 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.04 128.49 56.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -110.59 -58.03 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.8 p -37.33 155.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -100.18 -58.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -45.09 -28.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -51.47 -34.46 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.44 -60.41 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.852 HD13 HD21 ' A' ' 134' ' ' LEU . 6.7 mt -53.69 -23.1 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.1 -25.58 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -70.17 -57.49 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.728 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.39 -29.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -90.25 -70.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -38.96 -47.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.811 HG21 ' ND1' ' A' ' 106' ' ' HIS . 14.7 m -36.19 -46.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -116.0 40.66 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -156.38 46.71 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -127.23 -106.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.85 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.586 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 11.1 t -112.67 -19.15 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 78.33 -40.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 36' ' ' THR . 1.4 t -66.37 -9.32 32.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -21.6 23.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.2 t -45.56 158.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.971 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.0 t0 -49.03 154.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 95.74 134.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.0 148.57 35.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.83 -12.85 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -59.93 -56.6 34.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.95 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 50' ' ' ILE . 7.7 mm -43.18 -54.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -27.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.577 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.14 -42.68 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.885 HD12 HG22 ' A' ' 100' ' ' VAL . 2.5 pt -83.59 8.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.595 HG21 ' CE1' ' A' ' 109' ' ' PHE . 1.8 mt -100.67 -25.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.27 13.61 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -93.79 -19.77 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 104' ' ' LEU . 2.4 p -115.1 22.42 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -72.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.98 147.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -67.86 -29.93 69.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 18.1 m120 -66.17 -33.14 75.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.5 -57.26 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -46.57 -42.7 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 37.7 mt -64.09 -72.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 tt0 -46.19 -25.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.866 HG21 HD11 ' A' ' 110' ' ' LEU . 34.6 mt -77.19 -43.23 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -50.85 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -36.53 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.6 mt -60.09 -42.2 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.78 -42.44 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 119' ' ' ILE . 45.8 t -59.63 -38.93 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -50.77 -22.69 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -93.2 -40.41 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -66.88 -51.58 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.173 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -55.43 -45.83 76.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 m -66.29 -37.39 85.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.903 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.1 mt -50.2 -33.19 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 61.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' VAL . 22.9 t -170.0 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 74' ' ' LEU . 20.8 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.535 0.207 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.903 ' HG3' HD21 ' A' ' 74' ' ' LEU . 47.6 ttp -77.35 -23.76 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ALA . 29.1 t -36.68 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 89' ' ' SER . 7.5 t80 -84.14 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASN . 3.7 m-30 50.28 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -38.31 -45.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 87' ' ' PHE . 70.2 p -61.61 -47.71 84.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.535 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 10.7 t-20 -132.91 99.18 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -82.0 -38.73 24.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.632 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 6.4 mm-40 -38.17 -52.34 3.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.96 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 88' ' ' PHE . . . -51.51 -24.66 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.701 HG21 HG13 ' A' ' 11' ' ' ILE . 13.9 mt -75.79 -58.44 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.528 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -56.91 -41.27 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.623 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 9.6 m-30 -62.98 -60.56 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.448 ' SG ' ' NH1' ' A' ' 24' ' ' ARG . 4.8 m -41.5 -57.36 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.885 HG22 HD12 ' A' ' 50' ' ' ILE . 1.6 t -45.89 -44.86 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.537 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 2.6 mm -65.9 -43.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.816 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 8.1 m-85 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' PHE . 1.5 t80 -48.71 -38.82 22.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 100' ' ' VAL . 12.9 mt -68.66 -75.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.638 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 4.2 m-85 -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.811 ' ND1' HG21 ' A' ' 31' ' ' THR . 42.6 m170 -56.47 -51.39 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 30.2 p90 -170.49 67.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -135.37 -108.64 0.97 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 51' ' ' ILE . 10.0 m-85 -129.74 -37.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 63' ' ' ILE . 2.5 mt -48.18 149.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.597 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.5 mm -64.73 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 12.7 ptmm? -37.13 -33.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.99 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 125' ' ' THR . . . -54.6 -61.54 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.816 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.6 m-85 -36.46 -43.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.68 -42.86 60.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.47 -29.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.793 ' CD1' HD13 ' A' ' 74' ' ' LEU . 19.1 mt -93.51 -63.48 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.462 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -40.04 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.565 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.7 OUTLIER -88.1 -58.13 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -48.82 -45.76 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.3 tt -56.52 -28.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -74.14 -2.96 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -86.81 -26.1 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -95.88 -24.48 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.852 HD21 HD13 ' A' ' 25' ' ' LEU . 44.8 mt -64.84 -69.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.579 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.4 mm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -59.96 -40.68 89.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.98 -29.59 69.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.857 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.87 -25.33 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.857 HD23 ' HG3' ' A' ' 9' ' ' GLN . 9.1 mt -73.32 -44.93 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.6 mp -60.36 -66.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -36.31 -49.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.931 ' HB3' HG22 ' A' ' 50' ' ' ILE . 1.5 m-85 -57.44 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -42.28 -36.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.0 t-20 -52.54 -36.78 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.8 mt-30 -71.08 -4.94 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -107.68 -77.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -129.54 97.45 4.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.4 p -100.93 -56.97 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' SER . 2.5 p -38.54 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.6 m170 -71.77 -64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -38.62 -45.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -47.87 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 0.6 OUTLIER -50.56 -63.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HA ' HD11 ' A' ' 28' ' ' ILE . 15.7 mt -54.42 -20.2 7.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.17 -28.9 48.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ILE . 72.5 t80 -74.61 -65.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.7 pt -34.85 -36.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -80.17 -59.55 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' THR . 26.0 p -44.26 -54.71 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 106' ' ' HIS . 14.6 m -36.31 -45.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.95 31.53 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 1.2 tt0 -169.22 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -112.27 -93.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -169.88 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 38' ' ' SER . 15.2 t -121.02 -156.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 5.1 m-85 -133.39 5.92 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.974 ' O ' HD11 ' A' ' 44' ' ' LEU . 1.1 t -137.44 25.07 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -148.75 18.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 41.9 t -58.46 164.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 28.5 t70 -39.2 -55.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 ' HB1' ' A' ' 17' ' ' ALA . 5.1 p -59.0 132.9 87.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 148.82 35.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.974 HD11 ' O ' ' A' ' 38' ' ' SER . 26.5 mt -82.19 -33.36 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -41.35 -58.28 3.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.03 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.702 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 9.1 mm -46.19 -54.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.83 -24.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -77.28 -42.97 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.931 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -72.46 -29.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.64 HG21 ' CE1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -54.77 -26.62 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.89 -11.64 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 54' ' ' THR . 2.5 tp -63.39 -40.09 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.828 HG23 HG23 ' A' ' 53' ' ' ILE . 11.5 p -105.1 22.85 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -49.88 -52.56 31.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.57 167.95 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -51.02 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' GLN . 26.2 p30 -49.42 -25.62 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.68 -51.71 38.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.02 -45.1 42.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -63.38 -63.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -26.52 16.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.848 ' CG2' HD11 ' A' ' 110' ' ' LEU . 19.2 mt -68.27 -49.67 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.82 -54.51 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -39.01 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.471 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mt -58.11 -45.99 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.546 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -53.95 -47.81 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 64' ' ' THR . 36.4 t -53.29 -50.57 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 59.4 t30 -36.52 -54.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -80.4 -56.59 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.966 HD11 ' CD1' ' A' ' 123' ' ' TYR . 1.4 mm -38.8 -62.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -44.46 -43.08 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ASN . 34.6 m -70.02 -34.58 73.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' CD1' ' A' ' 126' ' ' ILE . 1.4 mt -53.38 -20.24 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.0 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' CD2' ' A' ' 87' ' ' PHE . 82.7 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 18.1 m-30 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.515 0.198 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 ttp -53.45 -36.37 61.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.956 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -45.01 -45.31 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.38 95.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.915 ' CD2' HG13 ' A' ' 77' ' ' VAL . 2.4 t80 -80.62 50.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 2.2 t80 -140.36 -43.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -51.48 21.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -81.36 -36.78 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 m-20 -108.82 77.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 96' ' ' ILE . 58.6 p -90.65 -51.55 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -47.15 -47.62 55.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.98 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.01 -18.21 22.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 97' ' ' ILE . 2.9 mt -78.26 -66.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -39.55 -42.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 5.4 m-30 -68.96 -45.33 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.501 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.8 t -46.99 -55.06 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -50.33 -52.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.615 HG21 ' OH ' ' A' ' 123' ' ' TYR . 11.8 mm -49.58 -65.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CE2' HG22 ' A' ' 28' ' ' ILE . 8.5 t80 -39.44 -45.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -62.78 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 11.4 mt -39.28 -30.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.906 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.9 m-85 -83.9 -46.32 12.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -39.72 -61.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.648 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 27.0 m-85 -165.84 35.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.86 -106.77 2.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 51' ' ' ILE . 8.7 m-85 -125.03 -34.64 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.906 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.9 mt -48.5 137.59 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.8 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.865 HG22 ' CE2' ' A' ' 123' ' ' TYR . 1.3 mm -60.72 -28.29 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -29.28 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -74.79 -28.75 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.33 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.966 ' CD1' HD11 ' A' ' 71' ' ' ILE . 7.8 m-85 -41.97 -36.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -72.9 -39.7 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.32 -27.09 44.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.86 ' CD1' HD22 ' A' ' 74' ' ' LEU . 9.0 mt -94.01 -59.81 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.432 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.52 -26.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' ALA . 24.8 t0 -86.89 -62.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -48.71 -45.36 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.956 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.1 tt -59.61 -28.0 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -87.01 2.22 50.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -85.22 -46.61 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 1.3 p90 -88.57 3.29 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.6 mt -60.21 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' LYS . 26.6 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -36.92 -51.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.01 -51.55 67.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.49 -39.85 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 HD21 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -64.07 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.541 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -39.56 -61.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.13 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB2' HG22 ' A' ' 50' ' ' ILE . 19.5 m-30 -36.87 -67.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.05 -40.95 24.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.77 -43.93 90.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -85.64 45.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . . . -153.77 -77.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.1 t -106.25 109.85 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.244 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -102.62 -48.81 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' SER . 39.9 p -36.01 154.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CD2' HH21 ' A' ' 24' ' ' ARG . 3.0 m80 -97.68 -83.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' HIS . 58.0 mt-30 -36.37 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -40.26 -50.18 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 7.3 mtm-85 -44.79 -64.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.713 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.5 mt -48.5 -23.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -82.15 -38.5 24.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' ILE . 7.3 m-30 -59.54 -61.91 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.9 pt -35.08 -35.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' PHE . 5.3 t -90.62 -73.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -37.12 -33.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 106' ' ' HIS . 23.8 m -77.75 47.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 22.69 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 90.0 p -117.55 -101.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' N ' ' OG ' ' A' ' 34' ' ' SER . 1.3 t0 -171.05 -51.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.732 HG23 ' N ' ' A' ' 37' ' ' PHE . 8.3 t -127.04 -145.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.732 ' N ' HG23 ' A' ' 36' ' ' THR . 2.2 m-85 -118.67 -40.66 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.96 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.62 -9.08 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -88.23 -25.18 23.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 88.1 t -67.14 -110.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.896 ' O ' HG12 ' A' ' 42' ' ' VAL . 7.6 t0 -144.26 -156.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 56.01 138.38 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 146.45 32.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.96 HD11 ' HB3' ' A' ' 38' ' ' SER . 19.2 mt -82.9 -14.33 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.84 -58.25 20.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.94 -43.51 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 HG21 ' A' ' 42' ' ' VAL . 11.6 mm -49.22 -48.52 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.96 -21.03 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 5.0 t-20 -79.11 -41.64 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 100' ' ' VAL . 5.3 pt -82.55 1.89 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.866 HD11 ' HA2' ' A' ' 108' ' ' GLY . 1.9 mt -97.05 -21.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -83.92 37.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.468 HD13 HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -116.2 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.831 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.0 p -96.77 -0.72 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -54.09 -52.52 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' GLN . 7.9 m-20 -56.84 168.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -84.34 -51.29 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.7 m-20 -56.77 -31.0 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 14.2 mm-40 -62.54 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -39.51 -43.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.5 -51.04 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.5 mt-10 -56.73 -28.77 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.831 ' CD1' HG22 ' A' ' 54' ' ' THR . 75.1 mt -74.92 -43.54 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -46.83 -59.41 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.457 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -54.88 -55.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -50.48 -42.56 54.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 15.5 t -66.67 -32.83 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.58 -33.02 74.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -89.61 -17.03 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -88.33 -51.63 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 71' ' ' ILE . 24.9 pttt -46.97 -27.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 m -83.82 -36.06 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mt -60.08 -22.22 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -1.2 23.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.7 p -144.24 60.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 74' ' ' LEU . 56.7 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.18 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.482 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 7.0 tmm? -59.02 -15.91 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -70.0 -53.04 19.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 90' ' ' THR . 0.4 OUTLIER -63.4 -13.18 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -88.97 39.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 1.034 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 8.3 t80 -138.34 -46.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.1 t -61.4 -29.52 69.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 31.3 p -64.06 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 3.4 m120 -119.47 123.89 45.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.944 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -43.87 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -37.17 -53.16 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -74.98 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.034 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -49.53 -25.19 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 92' ' ' SER . 1.1 mp -78.34 -59.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.691 HD12 HG22 ' A' ' 96' ' ' ILE . 1.5 mp -59.52 -26.29 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.805 ' CE2' ' CE1' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -64.43 -60.6 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -40.25 -50.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.761 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.8 mm -61.84 -64.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.809 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -37.02 -59.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.594 ' O ' ' C ' ' A' ' 104' ' ' LEU . 15.7 m-85 -59.04 -62.25 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 103' ' ' PHE . 1.8 mt -23.61 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 110' ' ' LEU . 35.3 m-85 -62.26 -65.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 31' ' ' THR . 40.9 m170 -100.75 49.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.617 ' HE2' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -172.8 -61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.866 ' HA2' HD11 ' A' ' 51' ' ' ILE . . . -84.05 -106.43 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 69.1 m-85 -165.52 67.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.6 mt -100.02 138.5 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.695 HG22 ' CD2' ' A' ' 123' ' ' TYR . 7.1 mm -45.19 -64.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 119' ' ' ILE . 1.6 ttpt -35.44 -40.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -59.13 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -53.53 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.809 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 6.6 m-30 -45.62 -25.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.93 -35.86 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -67.8 -19.52 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.352 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.482 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.2 mt -97.09 -54.28 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.451 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -51.04 -25.91 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 131' ' ' ALA . 15.0 t0 -90.73 -59.33 2.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -50.08 -38.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -66.05 -27.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -83.28 5.62 22.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.73 -25.09 21.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.28 -11.71 19.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 131' ' ' ALA . 8.2 mt -57.11 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -47.69 -44.04 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.24 -47.12 87.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.39 -38.04 40.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.47 -47.03 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.636 HG13 HG21 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.71 -60.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.49 -58.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' ILE . 10.5 m-85 -51.11 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 51.8 t80 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -41.11 -39.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.2 mm-40 -85.31 43.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -153.69 -70.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' CB ' HG23 ' A' ' 42' ' ' VAL . 11.9 t -144.32 92.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.05 -20.28 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 p -43.59 161.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.436 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 12.2 m-70 -100.05 -69.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -42.03 -34.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -49.24 -36.3 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 21' ' ' HIS . 32.6 mtt85 -56.77 -47.26 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.8 mt -64.7 -28.61 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -15.05 40.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 1.4 t80 -83.23 -58.89 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.633 ' HB ' ' HB1' ' A' ' 127' ' ' ALA . 0.7 OUTLIER -39.84 -29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 27' ' ' PHE . 34.7 t -85.59 -70.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -42.05 -43.76 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.591 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 21.0 m -48.38 -38.84 20.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -95.75 24.82 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' SER . 20.2 mm-40 -144.65 56.98 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -170.09 90.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -24.14 66.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.533 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 1.1 t -89.04 -23.04 22.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 36' ' ' THR . 2.8 m-85 76.51 -47.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.645 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -58.08 -16.46 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -25.72 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.612 HG21 ' CE1' ' A' ' 107' ' ' PHE . 74.7 t -55.33 153.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 4.7 t70 -59.57 -165.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 41' ' ' ASP . 5.3 p 55.28 141.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 149.41 36.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 38' ' ' SER . 38.0 mt -82.21 -41.23 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 mt-10 -35.04 -56.63 0.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.97 -51.54 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 20.5 mm -49.49 -37.22 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.7 mtmt -60.57 -16.0 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.3 t-20 -87.79 -40.12 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.962 HD12 HG22 ' A' ' 100' ' ' VAL . 3.3 pt -80.45 -0.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.7 mt -89.12 -23.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -12.46 60.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.2 tp -58.07 -35.29 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 63' ' ' ILE . 7.1 p -100.51 20.57 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -67.7 -47.74 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -76.55 154.82 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.1 pm0 -75.13 -27.24 59.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -72.4 -15.88 61.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.08 -58.05 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 14.3 pt20 -47.73 -42.56 25.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 57' ' ' GLU . 19.0 mt -59.7 -75.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -41.32 -30.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 101' ' ' ILE . 41.5 mt -72.19 -49.42 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -44.12 -62.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -43.76 88.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -52.24 -47.64 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.14 -43.48 78.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 64' ' ' THR . 17.8 t -68.87 -39.26 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -41.57 -31.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -99.62 -48.86 4.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -46.72 -49.32 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -56.54 -33.73 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -80.17 -32.93 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.755 HD23 HG21 ' A' ' 77' ' ' VAL . 2.6 mt -59.31 -16.92 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 37.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.17 31.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.755 HG21 HD23 ' A' ' 74' ' ' LEU . 42.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 133' ' ' TYR . 13.2 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.567 0.222 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 126' ' ' ILE . 2.3 ttt -38.37 -33.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -44.18 -41.78 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -59.41 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -75.0 54.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.5 m-85 -155.06 -45.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 29.8 p -62.58 -62.41 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.437 ' N ' ' OG1' ' A' ' 90' ' ' THR . 2.5 m-80 -94.23 99.36 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' HD12 ' A' ' 96' ' ' ILE . 39.2 p -85.74 -41.03 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -44.16 -55.83 8.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.25 -20.37 6.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 11' ' ' ILE . 4.4 mt -78.93 -63.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.483 HD11 HD12 ' A' ' 11' ' ' ILE . 1.2 mp -46.08 -42.03 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -64.13 -42.67 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.422 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 44.0 t -49.19 -38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.962 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -67.84 -44.73 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.742 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.7 mm -58.84 -55.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -48.72 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.78 -40.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.73 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.801 ' CE2' HD13 ' A' ' 110' ' ' LEU . 12.1 m-85 -50.24 -59.71 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 5.9 m-70 -40.11 -64.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 40' ' ' VAL . 5.0 m-30 -50.97 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.69 59.18 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -127.06 -52.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.801 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.4 mt -62.76 144.38 56.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 23.8 mm -40.24 -52.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -45.79 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.7 tmtt? -53.56 -54.17 41.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 125' ' ' THR . . . -64.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.9 m-85 -39.94 -39.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -39.21 47.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -49.55 -29.65 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 74' ' ' LEU . 13.8 mt -89.91 -64.13 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -40.6 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 25.8 t70 -86.17 -51.32 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 7.9 m-20 -55.87 -47.55 77.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 5.4 tt -58.39 -40.04 76.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.53 -7.59 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 5.6 t70 -79.31 -19.41 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -104.47 -41.06 5.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 25' ' ' LEU . 65.1 mt -48.28 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.964 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' GLN . 36.0 mm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.14 -41.99 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -43.17 98.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -59.0 -33.32 70.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.08 -44.81 83.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.619 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -57.44 -69.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 11' ' ' ILE . 2.3 m -39.25 -58.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.699 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -45.82 -89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -41.48 -44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 16.8 t-20 -48.62 -41.1 29.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 mm-40 -85.17 46.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -152.52 -70.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' SER . 25.3 p -63.65 -141.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.428 ' CA ' ' HB2' ' A' ' 23' ' ' GLU . 3.5 m -164.65 71.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.8 p 47.99 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 89' ' ' SER . 6.9 m80 -42.37 -51.92 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' HIS . 19.6 mt-30 -34.17 -50.69 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -46.53 -55.8 6.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -60.77 -25.05 66.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 m-20 -88.91 -10.39 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.578 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 40.8 t80 -89.33 -57.72 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -40.66 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ARG . 42.5 t -85.64 -70.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -42.67 -57.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.726 HG22 ' CD2' ' A' ' 106' ' ' HIS . 87.7 m -49.47 -32.1 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 tpt180 -83.0 -24.15 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 3.7 pt-20 -116.11 42.89 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -155.17 84.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.63 -34.85 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -88.9 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.743 ' N ' HG23 ' A' ' 36' ' ' THR . 11.3 m-85 -120.26 -39.53 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.746 ' CA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.79 -11.56 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 36' ' ' THR . 33.3 m -78.68 -34.11 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 85.8 t -57.85 148.54 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -54.3 48.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 40' ' ' VAL . 8.3 p -46.37 138.44 6.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.03 143.01 28.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' CA ' ' A' ' 38' ' ' SER . 8.8 mt -81.72 -10.78 59.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.0 mm-40 -62.44 -60.2 10.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -41.16 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.678 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 16.7 mm -52.72 -40.21 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -63.11 -12.79 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.05 -32.58 16.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.786 HD12 HG22 ' A' ' 100' ' ' VAL . 5.1 pt -88.48 -12.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.0 mt -73.38 -24.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 42.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -113.4 -37.7 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.624 HG21 HD13 ' A' ' 104' ' ' LEU . 7.3 p -92.44 21.05 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -66.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -52.04 139.05 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -64.3 -27.36 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -70.25 -34.53 72.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -67.98 -49.3 62.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' THR . 12.2 mt-30 -55.19 -41.7 72.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -66.68 -54.77 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.8 tp10 -60.01 -27.27 66.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.841 HG21 HD11 ' A' ' 110' ' ' LEU . 17.0 mt -73.04 -47.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -46.98 -57.91 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.09 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.9 mt -45.37 -44.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 71' ' ' ILE . . . -59.34 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.775 HG22 HD11 ' A' ' 119' ' ' ILE . 17.9 t -63.64 -30.24 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.23 -35.26 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.83 -27.33 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.588 ' CG1' ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -76.45 -49.66 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -46.04 -31.33 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.5 m -77.13 -37.21 54.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 126' ' ' ILE . 6.4 mt -59.16 -16.57 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -83.0 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.75 -73.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' A' ' 87' ' ' PHE . 2.4 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.491 0.186 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' PHE . 16.3 mmt -55.79 -36.0 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -49.12 -41.52 36.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -24.65 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CD1' HG13 ' A' ' 77' ' ' VAL . 18.9 t80 -89.95 52.03 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CE1' ' NH2' ' A' ' 24' ' ' ARG . 91.4 m-85 -157.88 -40.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.588 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 30.8 t -46.7 -54.27 9.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.2 p -72.63 -53.97 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.51 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.2 t-20 -83.34 89.6 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.913 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -88.84 -48.24 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.686 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.3 mt-10 -38.98 -51.48 4.02 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.686 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.0 -48.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.79 -43.54 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 92' ' ' SER . 1.5 mp -59.76 -56.48 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -60.41 -64.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.0 t80 -41.46 -42.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.32 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.786 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -48.18 -41.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.751 HD12 HG23 ' A' ' 63' ' ' ILE . 17.8 mm -56.63 -52.52 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 88.9 t80 -61.36 -58.49 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.678 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -38.98 -51.04 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 54' ' ' THR . 7.5 mt -61.89 -69.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.8 m-85 -39.48 -57.63 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.726 ' CD2' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -50.86 -59.72 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 40' ' ' VAL . 3.2 m-85 -55.55 -61.77 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.49 66.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -134.66 -53.71 0.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.74 132.05 52.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.567 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.775 HD11 HG22 ' A' ' 68' ' ' VAL . 6.3 mm -58.34 -64.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' N ' ' C ' ' A' ' 119' ' ' ILE . 35.8 tptt -72.68 -65.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.93 -64.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.653 ' CD1' HG22 ' A' ' 119' ' ' ILE . 4.9 m-85 -38.68 -49.46 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -69.86 -36.0 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.84 -27.52 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 74' ' ' LEU . 7.8 mt -91.88 -60.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -38.18 -31.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.5 t0 -87.74 -63.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 23.2 m-20 -44.9 -48.28 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.05 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -54.79 -37.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -71.95 -5.35 34.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 3.5 t70 -82.82 -28.37 30.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -92.85 -35.42 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 131' ' ' ALA . 41.3 mt -53.31 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 45.6 mm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.591 ' HE3' HD13 ' A' ' 97' ' ' ILE . 1.9 tptt -38.58 -48.88 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -52.7 -55.98 18.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.57 -48.63 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.859 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 25.3 mt -46.55 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.794 HG13 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -27.27 -57.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -33.09 -56.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.034 ' O ' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -56.53 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 2.6 t80 19.11 -63.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 1.034 ' N ' ' O ' ' A' ' 13' ' ' PHE . 10.4 t30 -46.96 -37.46 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 12' ' ' SER . 5.7 mm-40 -74.16 -30.31 62.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -66.04 -71.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.29 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.313 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -87.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 p -55.67 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -89.27 -49.07 6.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -49.35 -23.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.81 -40.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 88' ' ' PHE . 1.3 mpp_? -57.66 -62.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.618 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.9 mt -54.34 -20.75 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -30.11 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.968 ' CE1' HG11 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -69.31 -68.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' CG2' ' A' ' 130' ' ' ILE . 3.4 pt -35.19 -35.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' PHE . 15.5 t -84.99 -60.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -44.94 -45.17 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.656 HG23 ' HE1' ' A' ' 107' ' ' PHE . 23.4 m -51.77 -34.27 38.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -93.44 10.39 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -143.07 56.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m -170.28 90.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -24.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -115.62 -167.37 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.792 ' CD1' ' CE2' ' A' ' 107' ' ' PHE . 9.1 m-85 -113.77 -20.46 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -2.53 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -91.44 -40.34 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.968 HG11 ' CE1' ' A' ' 27' ' ' PHE . 58.0 t -51.29 146.32 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -71.86 70.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 ' HD2' ' A' ' 43' ' ' PRO . 3.3 p -175.12 141.53 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 150.67 38.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 18.3 mt -81.87 -41.15 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -35.0 -57.59 0.79 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.02 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 50' ' ' ILE . 15.3 mm -44.65 -55.66 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 7.4 mttp -46.58 -26.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.9 t-20 -75.4 -40.5 57.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -76.64 -2.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.7 mt -93.72 -25.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.4 29.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.0 OUTLIER -99.58 -34.14 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.423 HG22 HD13 ' A' ' 63' ' ' ILE . 4.3 p -97.5 22.81 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 14.6 pttt -62.71 -55.5 26.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 78.2 m-20 -66.59 158.84 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 61' ' ' ILE . 5.1 pm0 -83.89 -26.35 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -72.31 -13.4 61.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -53.02 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -52.82 -36.96 59.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.9 mt -64.64 -65.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 12.8 mt-10 -56.82 -25.41 55.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.751 HG21 HD21 ' A' ' 110' ' ' LEU . 9.3 mt -71.54 -48.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -59.4 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.11 92.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 9.2 mt -57.15 -39.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -61.25 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 71' ' ' ILE . 54.9 t -62.75 -32.53 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -50.68 -22.51 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.2 m-80 -97.36 -39.75 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -63.14 -51.93 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.77 -40.81 66.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -74.43 -33.07 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 77' ' ' VAL . 4.0 mt -61.97 -14.21 32.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -89.84 37.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 t -169.23 32.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.743 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 53.8 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.489 0.185 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 74' ' ' LEU . 1.2 ttt -51.99 -20.47 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -64.68 -44.5 90.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -43.49 95.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 91' ' ' ASN . 4.5 t80 -71.07 -16.82 62.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -61.99 -29.62 70.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.4 t -73.93 -56.41 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 p -67.25 -34.54 77.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.449 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 3.0 m120 -125.08 70.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 96' ' ' ILE . 79.1 p -82.93 -31.35 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -46.54 -57.91 7.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.1 Cg_endo -75.03 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.593 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . . . -58.7 -18.43 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.794 HG21 HG13 ' A' ' 11' ' ' ILE . 6.3 mt -81.67 -66.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.591 HD13 ' HE3' ' A' ' 7' ' ' LYS . 1.5 mp -46.17 -46.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 3.3 t80 -58.7 -49.82 76.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . 11.4 t -41.62 -43.24 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 t -73.84 -53.2 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.66 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -45.37 -38.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 28' ' ' ILE . 42.1 t80 -68.58 -70.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.61 ' CE2' ' CE2' ' A' ' 107' ' ' PHE . 2.9 t80 -35.96 -44.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLY . 51.4 mt -58.56 -67.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 7.8 m-85 -44.96 -58.63 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.56 ' ND1' HG22 ' A' ' 31' ' ' THR . 37.6 t-80 -45.78 -51.03 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.659 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 4.3 m-85 -69.28 -22.67 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 87.3 68.46 1.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -124.29 -53.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 63' ' ' ILE . 1.7 mt -61.31 153.48 26.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.437 ' N ' HG23 ' A' ' 118' ' ' ILE . 10.8 mm -42.31 -66.65 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -40.49 -50.12 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -53.03 -52.79 57.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 125' ' ' THR . . . -63.33 -64.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.781 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 4.1 m-85 -44.69 -30.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -79.71 -36.5 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -60.38 -24.84 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 74' ' ' LEU . 5.2 mt -95.38 -58.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 102' ' ' TYR . . . -43.68 -27.69 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 33.9 t70 -89.72 -58.3 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 31.0 t30 -49.33 -45.76 45.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.5 tt -56.16 -25.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -82.54 6.01 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 19.2 t0 -74.81 -35.74 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 1.1 p90 -103.83 7.82 37.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 134' ' ' LEU . 3.6 mt -64.29 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.459 0.171 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -175.75 177.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -48.03 158.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 2' ' ' GLU . 9.5 p30 174.61 169.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' ILE . 12.8 p-10 177.36 -151.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' LYS . 44.4 mm -37.28 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 11' ' ' ILE . 5.3 tptt -37.19 -55.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 4' ' ' ASN . 2.5 tm-20 -56.23 -50.75 70.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.605 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.7 mt-30 -46.76 -39.72 12.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD12 HG13 ' A' ' 97' ' ' ILE . 9.5 mt -67.93 -58.3 4.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.819 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -47.59 -63.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -37.24 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 22.7 m-30 -40.67 -67.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -44.22 -52.72 7.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -59.71 -30.61 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -90.44 31.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.641 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -135.54 -72.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -58.48 -164.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.95 -89.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -79.73 -168.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' C ' ' N ' ' A' ' 23' ' ' GLU . 72.8 m-70 -90.05 -58.07 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.579 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 23' ' ' GLU . 20.5 mt-30 -41.51 -27.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.152 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER -37.1 -51.56 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' PHE . 72.0 mtt85 -45.88 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.697 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.4 mt -50.54 -22.64 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.5 OUTLIER -83.4 -34.65 25.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 28' ' ' ILE . 9.8 m-30 -65.17 -61.16 2.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.0 pt -32.72 -40.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' SER . 8.7 t -90.96 -71.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.491 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 20.8 t -35.1 -48.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.518 HG23 ' CE1' ' A' ' 107' ' ' PHE . 23.6 m -53.78 -61.71 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.11 46.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -171.26 38.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -116.43 -107.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -171.1 -51.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 38' ' ' SER . 9.0 t -104.03 -18.98 14.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 21.2 m-85 62.75 11.83 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 36' ' ' THR . 1.3 t -122.78 -1.55 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.9 p -104.73 -0.03 27.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 41' ' ' ASP . 49.3 t -43.54 165.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' HG12 ' A' ' 40' ' ' VAL . 11.6 t0 -69.54 64.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.8 p -168.92 140.45 2.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -75.0 142.86 28.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.06 -21.75 36.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -51.85 -57.98 12.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.06 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.709 HG22 ' CD1' ' A' ' 51' ' ' ILE . 11.8 mm -50.51 -34.17 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -27.87 66.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 46' ' ' PRO . 13.2 m120 -77.22 -37.77 52.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.86 HD12 HG22 ' A' ' 100' ' ' VAL . 1.2 pt -83.59 0.66 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.709 ' CD1' HG22 ' A' ' 47' ' ' ILE . 13.0 mt -101.72 -33.83 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 3.7 mt-10 -88.05 42.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG23 HG22 ' A' ' 54' ' ' THR . 1.1 tp -115.51 -35.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.562 ' CG2' HD13 ' A' ' 63' ' ' ILE . 3.0 p -96.53 23.86 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -92.92 30.89 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.7 m-20 -138.37 146.65 42.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.4 mt-10 -52.13 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' GLU . 36.5 m-20 -37.08 -37.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 13.0 mm-40 -59.53 -62.25 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -46.39 -45.05 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 3.2 mt -63.89 -71.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -41.38 -30.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.725 HG23 ' CD1' ' A' ' 101' ' ' ILE . 62.1 mt -73.7 -49.38 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -43.87 -63.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.372 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -42.2 79.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -46.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.8 -44.42 96.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 64' ' ' THR . 46.7 t -62.94 -40.87 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -43.55 -27.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 10.0 t-20 -91.37 -45.93 8.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -58.05 -50.96 76.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.72 -25.67 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 m -90.12 -32.4 16.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.66 -9.3 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 41.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.065 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -169.56 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 84' ' ' MET . 7.0 t 39.56 80.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.48 -162.8 0.43 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 -52.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 t -94.04 47.0 1.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.63 167.96 24.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.17 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.11 -62.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.606 ' CZ ' ' CD1' ' A' ' 133' ' ' TYR . 15.2 m-30 -93.65 141.72 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 77' ' ' VAL . 31.7 mmt -76.82 -24.27 52.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.06 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -55.64 -45.71 77.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -48.05 -25.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 26.2 t80 -90.09 48.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 97.7 m-85 -163.5 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -50.97 -33.37 24.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.9 p -68.52 -68.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 73.0 m-80 -97.64 110.57 23.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.86 -43.17 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 1.8 mt-10 -39.28 -55.11 3.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.457 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.96 -48.46 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -51.83 -23.53 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.819 HG21 HG13 ' A' ' 11' ' ' ILE . 4.1 mt -77.5 -69.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -40.55 -42.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 70' ' ' ASN . 18.6 m-85 -64.0 -54.76 29.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.24 -42.85 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 108.322 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.86 HG22 HD12 ' A' ' 50' ' ' ILE . 2.3 t -57.33 -47.19 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.725 ' CD1' HG23 ' A' ' 63' ' ' ILE . 13.4 mm -54.31 -61.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 45.3 m-85 -43.64 -70.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -35.52 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 51' ' ' ILE . 68.7 mt -42.49 -61.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 9.7 m-85 -53.88 -39.96 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.507 ' HB3' HG22 ' A' ' 31' ' ' THR . 72.3 m-70 -60.34 -26.24 66.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 17.9 m-30 -107.65 12.14 27.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.75 64.91 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -116.84 -54.67 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 63' ' ' ILE . 1.3 mt -58.83 154.16 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.11 150.55 42.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.69 104.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 114' ' ' ASN . 3.5 m120 -69.53 110.43 4.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER 162.27 112.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 179.67 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -178.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.15 129.79 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.76 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.0 OUTLIER -132.41 -156.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.76 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.3 mm -62.24 -67.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 121' ' ' LYS . 2.7 pttt -41.23 -29.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 119' ' ' ILE . 20.9 tptt -71.53 -57.32 4.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.703 ' O ' HG22 ' A' ' 125' ' ' THR . . . -62.36 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.4 m-85 -40.7 -40.03 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -39.24 67.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -57.14 -27.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 130' ' ' ILE . 4.1 mt -94.6 -58.08 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.435 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.02 -27.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 131' ' ' ALA . 36.2 t70 -90.17 -62.3 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -47.38 -43.42 23.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.06 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -59.77 -32.96 50.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -77.31 -0.34 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -86.38 -21.25 27.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.606 ' CD1' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -102.34 -23.57 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 131' ' ' ALA . 57.6 mt -56.38 -84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 174.63 41.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 47.95 44.27 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.33 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB2' HD13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.494 0.188 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 174.2 141.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 175.65 127.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.4 m-80 62.54 137.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -53.07 -46.58 68.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -56.91 -81.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.649 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.89 -34.06 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 1.1 tt0 -64.48 -52.11 59.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.722 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -52.79 -23.16 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD23 ' HG3' ' A' ' 9' ' ' GLN . 5.2 mt -75.67 -49.02 19.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.649 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.1 mp -53.24 -64.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 11' ' ' ILE . 36.8 m -42.46 -56.8 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.4 m-30 -48.71 -83.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CD2' HG23 ' A' ' 100' ' ' VAL . 28.1 t80 -43.8 -41.08 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 24.1 t30 -53.44 -36.03 61.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' PHE . 3.6 mt-30 -77.18 0.65 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 14' ' ' PHE . . . -98.95 -73.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -59.83 -158.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.04 -84.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -96.65 -166.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.476 ' CD2' ' CZ ' ' A' ' 88' ' ' PHE . 5.6 m80 -79.61 -56.8 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -39.3 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 4.1 mm-40 -45.12 -43.14 9.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' CZ ' HG12 ' A' ' 96' ' ' ILE . 19.2 mtt85 -53.08 -49.54 66.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.7 mt -71.44 -17.6 62.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -90.62 -9.19 47.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 8.8 m-30 -90.22 -57.69 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 130' ' ' ILE . 0.4 OUTLIER -41.04 -29.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' PHE . 21.1 p -90.24 -45.46 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' PHE . 31.9 t -56.64 -42.66 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -62.08 -27.23 68.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' NH2' ' CG ' ' A' ' 128' ' ' ASP . 0.0 OUTLIER -118.41 44.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -170.89 31.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 p -128.81 -107.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -171.03 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.714 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.4 t -122.78 -143.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.714 ' N ' HG23 ' A' ' 36' ' ' THR . 0.7 OUTLIER -108.33 -37.67 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.777 ' HA ' HD11 ' A' ' 44' ' ' LEU . 28.1 t -72.08 -4.82 31.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -89.31 -36.33 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 42' ' ' VAL . 77.2 t -52.47 156.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.06 -63.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 40' ' ' VAL . 9.3 p -39.27 135.47 1.1 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.0 Cg_endo -75.06 147.59 33.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.47 1.774 . . . . 0.0 111.003 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 38' ' ' SER . 47.4 mt -82.06 -23.94 35.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.5 mt-10 -49.3 -57.63 11.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.631 HG22 ' CD1' ' A' ' 51' ' ' ILE . 26.4 mm -52.23 -36.09 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.8 mttp -64.61 -12.4 45.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -90.25 -35.8 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 HG22 ' A' ' 100' ' ' VAL . 7.2 pt -82.77 -34.07 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.696 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 50.0 mt -53.85 -30.54 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.24 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -111.14 -29.51 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.637 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -102.87 23.94 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -69.19 -59.4 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.91 144.92 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.842 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.6 pm0 -68.7 -29.18 67.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 2.1 m-20 -72.66 -27.41 62.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.0 -34.97 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.842 HD12 ' O ' ' A' ' 57' ' ' GLU . 15.8 mt -68.51 -65.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.485 ' O ' HD12 ' A' ' 66' ' ' ILE . 6.9 mt-10 -51.75 -31.43 26.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.865 HG21 HD21 ' A' ' 110' ' ' LEU . 8.8 mt -65.52 -56.21 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -41.08 -54.57 2.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' N ' HG22 ' A' ' 64' ' ' THR . 4.3 mttt -63.82 -48.17 77.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.1 mt -49.32 -47.05 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -54.53 -44.99 73.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.774 HG22 HD11 ' A' ' 119' ' ' ILE . 16.0 t -66.68 -49.75 71.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 38.4 t30 -39.16 -45.19 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' THR . 41.8 t30 -80.81 -57.42 3.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -42.25 -57.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.0 -38.55 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ASN . 20.0 m -71.29 -33.78 70.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -60.45 -15.32 25.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.9 48.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.54 -61.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.54 HG13 ' CG ' ' A' ' 87' ' ' PHE . 3.4 t 40.23 87.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.38 106.52 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -174.87 -73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.8 t -139.25 140.53 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 48.77 -170.45 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -143.32 39.14 1.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 85' ' ' ALA . 64.4 m-85 -98.83 9.46 43.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 9.3 mmt 67.67 -63.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' A' ' 130' ' ' ILE . . . -45.04 -46.72 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -42.88 -49.9 5.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.974 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CG ' HG13 ' A' ' 77' ' ' VAL . 2.8 t80 -36.54 -38.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 92' ' ' SER . 8.0 t80 -40.75 -53.87 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -40.54 -38.82 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.9 p -94.43 -50.94 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.454 ' ND2' ' HG3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -114.19 76.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 88' ' ' PHE . 86.6 p -89.5 -47.41 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.6 mt-10 -40.6 -50.72 6.96 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.04 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.26 -27.54 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 92' ' ' SER . 2.3 mt -73.72 -56.92 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.504 HD12 HG22 ' A' ' 96' ' ' ILE . 1.1 mp -52.95 -38.88 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.77 ' CD1' ' CD1' ' A' ' 123' ' ' TYR . 0.1 OUTLIER -57.73 -57.16 13.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 103' ' ' PHE . 6.8 t -47.01 -47.39 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 108.341 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.734 HG22 HD12 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -66.22 -43.33 91.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -58.57 -71.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' OH ' ' CE1' ' A' ' 106' ' ' HIS . 14.0 t80 -47.27 -51.39 19.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.795 ' CE2' ' CZ ' ' A' ' 107' ' ' PHE . 9.7 t80 -45.79 -41.35 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.35 -48.18 76.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.651 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.4 m-85 -60.1 -37.78 81.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.574 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -70.98 -39.21 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.795 ' CZ ' ' CE2' ' A' ' 103' ' ' PHE . 3.9 m-85 -77.11 -22.28 52.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 109' ' ' PHE . . . 89.66 90.8 1.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.696 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 28.2 m-85 -159.55 -63.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -51.14 146.71 6.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 143.55 49.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.89 107.16 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -46.5 163.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -47.51 102.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER 174.78 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 115' ' ' LYS . 2.5 pttt 47.29 42.83 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.535 ' O ' ' C ' ' A' ' 118' ' ' ILE . 5.1 mt-30 -133.6 -108.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER 29.81 -97.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.774 HD11 HG22 ' A' ' 68' ' ' VAL . 4.6 mm -63.83 -67.08 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -39.54 -55.35 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 117' ' ' GLN . 1.9 tmtt? -45.97 -45.87 15.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.799 ' O ' HG22 ' A' ' 125' ' ' THR . . . -61.97 -66.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.77 ' CD1' ' CD1' ' A' ' 98' ' ' PHE . 9.6 m-85 -45.85 -32.71 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.5 -33.97 62.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.8 t -64.63 -25.74 68.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.782 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.0 mt -95.89 -54.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -50.64 -25.05 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.6 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 48.1 t0 -90.47 -60.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 132' ' ' ASP . 15.8 t30 -50.04 -48.13 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.02 ' CD1' ' HB2' ' A' ' 85' ' ' ALA . 8.4 tt -55.28 -19.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.39 10.97 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 129' ' ' ASN . 59.4 t0 -87.83 -44.58 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.3 OUTLIER -87.1 -30.91 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 131' ' ' ALA . 25.6 mt -45.78 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 55.93 68.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 45.12 72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.503 0.192 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 176.59 5.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -141.31 67.84 1.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.5 t-20 -126.68 -68.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 2.7 m-20 156.11 -82.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -62.39 -53.22 50.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.648 ' HE2' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -54.64 -50.18 68.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.35 -42.35 91.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.0 mt-30 -51.7 -38.92 57.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.7 mt -64.71 -56.8 11.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG21 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -40.03 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.637 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -36.76 -72.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 12.7 m-85 -39.32 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD2' HG23 ' A' ' 96' ' ' ILE . 49.9 t80 -43.1 -43.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.97 -38.25 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.5 mt-30 -74.3 -1.87 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -111.47 -88.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' ' CE2' ' A' ' 27' ' ' PHE . 6.6 t -112.83 92.16 3.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 108.287 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -92.96 -56.41 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' SER . 3.0 p -37.17 155.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 24' ' ' ARG . 55.2 m80 -93.1 -58.67 2.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -40.2 -51.21 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.02 -41.48 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -52.26 -45.64 65.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HB1' ' A' ' 85' ' ' ALA . 8.1 mt -64.39 -29.96 71.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -15.9 44.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.458 ' C ' ' N ' ' A' ' 29' ' ' CYS . 3.3 m-85 -82.89 -60.68 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.75 HD12 HG21 ' A' ' 130' ' ' ILE . 0.7 OUTLIER -39.52 -30.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' N ' ' C ' ' A' ' 27' ' ' PHE . 7.4 t -90.61 -57.95 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -50.39 -57.77 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 29.0 m -51.34 -19.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.05 31.85 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.02 32.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -103.9 -100.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -170.31 -54.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 13.9 t -115.88 -20.39 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.955 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.6 m-85 77.28 -37.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.905 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -71.89 -3.63 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.951 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -132.76 44.77 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 37' ' ' PHE . 58.9 t -80.25 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.613 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.8 t70 -114.64 -35.7 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 7.9 p -67.49 141.27 95.4 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 142.95 28.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.905 HD21 ' O ' ' A' ' 38' ' ' SER . 61.9 mt -81.49 -25.51 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mt-10 -48.42 -58.69 7.54 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.555 1.818 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.544 HG22 ' CD1' ' A' ' 51' ' ' ILE . 18.3 mm -51.85 -37.18 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.85 -16.63 51.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.61 -35.21 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.729 HD12 HG22 ' A' ' 100' ' ' VAL . 3.1 pt -89.68 -9.25 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.544 ' CD1' HG22 ' A' ' 47' ' ' ILE . 7.2 mt -78.03 -30.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -84.21 46.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.04 -38.48 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -91.82 22.86 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -92.02 26.6 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.5 OUTLIER -144.81 119.46 9.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.897 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -44.56 -33.74 1.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -70.09 -43.3 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.2 mm-40 -62.08 -63.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 15.2 pt20 -42.5 -42.55 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.2 mt -59.21 -65.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -52.04 -39.05 59.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.824 HG23 HD12 ' A' ' 101' ' ' ILE . 17.6 mt -56.73 -48.36 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -51.83 -59.69 4.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -60.82 -35.41 76.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.5 -47.96 90.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.17 -45.01 84.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.924 HG22 HD11 ' A' ' 119' ' ' ILE . 25.1 t -59.66 -48.54 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -42.64 -31.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -85.74 -45.95 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.688 HD13 ' CE1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -57.47 -50.25 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -49.41 -27.04 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 75' ' ' SER . 20.8 m -86.79 -45.94 10.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.891 HD13 HD12 ' A' ' 126' ' ' ILE . 4.7 mt -47.98 -24.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' THR . 28.1 p -71.95 59.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.1 OUTLIER -169.13 -40.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 HD23 ' A' ' 74' ' ' LEU . 49.5 t -39.11 117.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.15 122.46 1.91 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -45.28 74.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 t -113.86 139.99 48.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.362 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.93 120.49 0.14 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.28 72.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CD2' ' CD2' ' A' ' 133' ' ' TYR . 39.5 m-85 -63.26 177.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.62 ' HE2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -54.32 -31.91 55.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.001 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.66 -47.18 73.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.8 m -69.09 -25.91 64.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.44 38.3 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.886 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.2 m-85 -136.78 -51.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -47.96 -30.63 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.3 p -69.52 -69.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 1.8 p30 -98.75 97.08 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.64 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -83.27 -32.84 26.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.012 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 2.6 mt-10 -44.64 -56.78 7.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.01 -48.04 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.886 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -52.22 -25.34 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.763 HG21 HG13 ' A' ' 11' ' ' ILE . 6.2 mt -75.9 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.513 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -57.63 -52.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 2.9 t80 -53.3 -44.64 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.454 ' HG ' ' HD2' ' A' ' 103' ' ' PHE . 45.6 t -56.38 -50.7 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.44 1.087 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.729 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -51.31 -46.86 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.824 HD12 HG23 ' A' ' 63' ' ' ILE . 26.0 mm -52.16 -60.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -56.25 -61.58 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.568 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -37.11 -36.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.53 -68.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 110' ' ' LEU . 11.2 m-85 -38.2 -38.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 2.7 m80 -70.33 -51.95 26.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.601 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.65 -37.83 87.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.33 81.44 1.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 26.1 m-85 -148.55 -61.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mt -58.13 146.93 31.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.3 140.73 24.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -139.28 76.08 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.3 -166.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -96.28 68.47 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -161.74 159.16 26.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 79.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -163.7 35.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -127.16 -95.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.924 HD11 HG22 ' A' ' 68' ' ' VAL . 6.7 mm -63.14 -65.8 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 0.8 OUTLIER -44.25 -30.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -51.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.67 ' O ' HG22 ' A' ' 125' ' ' THR . . . -72.03 -63.12 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.688 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.6 m-85 -39.89 -38.72 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.3 tp10 -76.9 -39.29 51.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.03 -25.2 7.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.891 HD12 HD13 ' A' ' 74' ' ' LEU . 11.0 mt -93.42 -63.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.09 -28.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 131' ' ' ALA . 9.7 t70 -90.41 -60.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 125' ' ' THR . 14.7 t30 -47.72 -45.16 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.001 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt -58.11 -30.94 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -80.96 2.99 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.439 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 25.1 t0 -86.13 -30.99 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.73 -3.71 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 134' ' ' LEU . 5.2 mt -57.72 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 63.72 48.81 3.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.31 69.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptt? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.476 0.179 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 175.08 -48.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -95.97 -63.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 66.77 -172.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -106.93 -57.81 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' LYS . 15.6 mm -59.12 -71.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.536 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.13 -46.2 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.25 -50.84 68.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.4 mt-30 -46.5 -39.89 11.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.85 -51.39 62.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.153 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -53.3 -60.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.25 -49.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 15.0 m-85 -67.36 -80.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -39.17 -33.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 15.4 t-20 -59.66 -49.46 77.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 13' ' ' PHE . 12.0 pt20 -84.13 45.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -143.94 -73.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.557 ' CB ' HG23 ' A' ' 42' ' ' VAL . 48.6 t -163.63 97.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -111.24 -65.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.455 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . 46.6 p 37.38 -156.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -133.03 -73.37 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -33.27 57.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 20' ' ' THR . 6.3 tp10 -52.3 -25.26 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.559 ' NE ' ' CD1' ' A' ' 88' ' ' PHE . 0.6 OUTLIER -72.98 -40.01 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 134' ' ' LEU . 11.2 mt -57.81 -35.21 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.27 -10.95 59.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 1.1 t80 -85.96 -58.04 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -33.28 -36.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 27' ' ' PHE . 2.0 t -82.84 -56.46 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 108.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -44.12 -57.14 3.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.499 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 39.8 m -42.16 -50.1 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -90.27 35.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.0 tp10 -170.51 72.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.1 t -150.02 -102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.58 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' H ' ' A' ' 38' ' ' SER . 8.9 t -113.04 -19.98 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 1.5 m-85 63.94 9.88 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.861 ' H ' HG23 ' A' ' 36' ' ' THR . 0.5 OUTLIER -118.31 -3.51 10.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 t -117.96 15.93 14.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.8 t -57.09 -107.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.661 ' N ' HG12 ' A' ' 40' ' ' VAL . 6.2 t0 -121.74 -62.41 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' CB ' ' A' ' 18' ' ' CYS . 4.3 p -42.31 136.91 2.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.05 144.69 30.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 73.6 mt -81.4 -20.64 40.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -52.67 -58.99 9.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.04 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.806 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 51' ' ' ILE . 33.8 mm -52.44 -36.44 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 12.7 mtpp -63.41 -15.89 58.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.54 -35.26 18.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.78 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -85.61 -9.63 11.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.599 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 8.6 mt -80.03 -23.83 11.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -88.62 39.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -107.71 -30.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.705 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.6 p -100.6 20.13 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -55.18 -51.51 66.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.1 152.48 39.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.33 -26.01 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 m-20 -69.48 -40.85 76.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -45.46 93.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.68 -46.55 81.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.95 -59.58 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.13 -29.26 65.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.826 HG21 HD21 ' A' ' 110' ' ' LEU . 6.4 mt -66.83 -47.02 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -51.53 -57.4 9.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 110.364 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -62.53 -40.31 96.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.7 mt -56.69 -43.47 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 123' ' ' TYR . . . -57.95 -44.22 86.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 72' ' ' LYS . 39.0 t -63.02 -40.03 87.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.7 t-20 -38.5 -31.27 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' VAL . 3.1 t-20 -93.69 -62.75 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.461 ' HA ' HD12 ' A' ' 71' ' ' ILE . 0.6 OUTLIER -40.16 -41.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.585 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -56.01 -51.6 67.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ASN . 22.8 m -73.78 -32.93 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.376 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.564 HD23 ' CG2' ' A' ' 77' ' ' VAL . 1.1 mt -59.75 -15.64 21.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -84.1 47.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -169.98 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.564 ' CG2' HD23 ' A' ' 74' ' ' LEU . 16.3 t 39.28 66.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.76 -140.88 22.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.5 -49.69 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.5 p -95.97 162.84 13.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.06 -164.11 1.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -174.31 45.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -80.09 86.36 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.54 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 11.7 tmm? -54.61 -17.34 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.961 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -66.96 -45.3 78.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.89 -52.51 65.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.89 -22.9 50.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 1.01 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 17.1 t80 -86.51 -16.04 38.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -49.83 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.5 p -69.24 -69.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.0 m120 -79.16 98.71 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.884 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -88.1 -37.48 16.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 2.0 mt-10 -46.75 -50.55 42.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.01 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -50.62 -34.23 25.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.884 HD12 ' O ' ' A' ' 92' ' ' SER . 1.8 mt -66.61 -59.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -51.93 -50.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.44 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.46 -56.7 5.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.78 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -47.37 -41.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.72 HD12 HG23 ' A' ' 63' ' ' ILE . 5.5 mm -70.39 -45.78 73.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.448 ' OH ' ' CB ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -59.84 -54.22 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.803 ' CE2' ' CE1' ' A' ' 27' ' ' PHE . 1.7 m-85 -49.76 -46.79 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' TYR . 45.6 mt -56.06 -74.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.62 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 10.3 m-85 -36.86 -64.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.591 ' CE1' ' HG2' ' A' ' 124' ' ' GLU . 11.2 m-70 -44.44 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' A' ' 37' ' ' PHE . 4.1 m-30 -49.61 -56.38 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' CG ' ' A' ' 109' ' ' PHE . . . 126.78 97.68 1.02 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 46.1 m-85 -162.12 -63.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.826 HD21 HG21 ' A' ' 63' ' ' ILE . 2.3 mt -53.16 157.42 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -94.95 125.41 39.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.428 ' OD1' HG22 ' A' ' 118' ' ' ILE . 29.9 t0 -164.03 77.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -122.79 109.73 14.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -150.43 171.92 16.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -43.03 -56.7 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.3 154.18 39.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -55.16 159.57 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.658 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.6 OUTLIER -126.01 -98.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.658 ' H ' HG23 ' A' ' 118' ' ' ILE . 5.3 mm -62.53 -58.92 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -43.06 -31.32 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -58.02 6.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -63.83 -64.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.603 ' CD1' ' CG2' ' A' ' 119' ' ' ILE . 3.4 m-85 -37.52 -34.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.591 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 89.7 mt-10 -85.58 -42.71 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.27 -21.73 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.709 ' O ' HG22 ' A' ' 130' ' ' ILE . 2.6 mt -95.57 -62.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.493 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -39.76 -29.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' ALA . 1.8 t0 -90.21 -63.84 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 36.6 m-20 -43.81 -43.56 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.0 tt -57.4 -41.63 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.663 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -65.69 -10.57 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 23.0 t0 -75.1 -44.76 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.536 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 1.3 m-30 -74.72 -46.96 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.7 HD21 HD13 ' A' ' 25' ' ' LEU . 27.1 mt -43.6 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 167.42 -78.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.22 82.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 35.1 t30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.478 0.18 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.89 -94.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -61.78 121.6 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -139.1 132.71 30.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' CG ' ' N ' ' A' ' 6' ' ' ILE . 9.7 t30 -172.49 -88.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.5 mm -76.51 -85.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.036 ' HD3' HD11 ' A' ' 97' ' ' ILE . 2.7 mmmt -35.98 -35.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ILE . 32.5 tp10 -57.99 -55.87 29.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.512 ' HG3' HD23 ' A' ' 10' ' ' LEU . 3.1 pt20 -55.6 -30.62 61.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.93 HD12 ' HD2' ' A' ' 7' ' ' LYS . 11.1 mt -69.43 -41.1 76.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.1 mp -58.82 -58.55 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.3 p -41.24 -52.42 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 10' ' ' LEU . 19.7 m-30 -50.26 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -53.98 -45.74 71.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 14' ' ' PHE . 1.1 m-20 -54.22 -31.19 52.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -78.49 2.57 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.9 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -110.59 -78.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.66 -172.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -79.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 p -41.31 163.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.51 -39.22 28.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.628 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' GLU . 5.2 mt-30 -70.33 -4.84 24.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 27' ' ' PHE . 6.1 pt-20 -37.11 -35.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -69.26 -57.26 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.5 mt -60.85 -24.53 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -90.85 -21.95 21.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' GLU . 33.3 t80 -76.37 -59.54 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.68 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -39.22 -29.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -89.31 -58.37 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 108.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.642 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -39.03 -41.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.893 HG22 ' CD2' ' A' ' 106' ' ' HIS . 45.8 m -78.4 53.49 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' THR . 0.0 OUTLIER 157.95 -23.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -98.15 31.66 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 t -134.66 -104.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.87 -53.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 38' ' ' SER . 14.8 t -126.27 -161.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -96.64 -28.96 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.547 ' H ' HG23 ' A' ' 36' ' ' THR . 32.6 t -80.01 3.41 20.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -103.48 -29.7 11.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 30' ' ' SER . 61.4 t -54.38 153.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.17 60.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.9 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 4.6 p -164.77 133.47 2.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -74.98 149.09 36.29 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.494 1.786 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 8.3 mt -81.88 -26.73 33.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.1 mt-10 -46.14 -57.4 8.36 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.459 HG22 HD12 ' A' ' 51' ' ' ILE . 24.5 mm -49.38 -43.78 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.65 -21.11 6.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -80.75 -42.3 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.811 HD12 HG22 ' A' ' 100' ' ' VAL . 3.9 pt -81.01 2.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.3 mt -98.64 -24.46 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -89.12 35.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -113.71 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.69 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.4 p -90.89 24.33 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -83.43 -27.07 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.91 131.61 34.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 58' ' ' ASN . 3.6 tt0 -45.26 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 57' ' ' GLU . 4.6 m-80 -33.78 -40.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -58.63 -59.12 5.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.4 pt20 -50.37 -40.45 49.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -67.19 -60.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -31.92 46.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.912 HG21 HD21 ' A' ' 110' ' ' LEU . 14.5 mt -62.39 -41.72 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -58.34 -50.89 72.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -70.4 -35.14 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.09 -48.91 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -54.08 -45.31 71.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 64' ' ' THR . 20.8 t -62.4 -38.3 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -42.26 -28.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.08 -53.41 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.765 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -49.24 -45.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -45.43 68.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -75.17 -36.79 61.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.369 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.718 HD23 HG21 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -57.45 -17.59 14.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.5 43.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.01 31.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.718 HG21 HD23 ' A' ' 74' ' ' LEU . 22.5 t -93.56 80.62 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 79' ' ' ALA . . . 41.48 -137.39 2.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 78' ' ' GLY . . . 176.66 -54.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.47 63.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.13 108.65 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 168.26 88.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.648 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 23.1 m-85 -63.62 147.89 50.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -8.9 31.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.924 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -68.75 -49.64 57.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -35.66 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 2.4 t80 -83.81 53.01 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 87' ' ' PHE . 3.4 m-85 -172.38 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -49.74 -45.69 49.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.2 p -69.08 -60.09 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.476 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 42.9 m-20 -89.07 106.83 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.485 ' C ' HD12 ' A' ' 96' ' ' ILE . 70.2 m -85.42 -41.99 14.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.1 tt0 -40.24 -52.35 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.5 Cg_endo -74.97 -48.39 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.26 -21.0 12.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -77.72 -55.96 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.036 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.3 mp -50.32 -60.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.539 ' N ' HG22 ' A' ' 97' ' ' ILE . 55.3 t80 -46.43 -53.67 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' VAL . 20.3 m -59.64 -71.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 108.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.811 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -38.36 -41.9 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HG23 ' A' ' 63' ' ' ILE . 13.5 mm -67.44 -58.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.754 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 58.0 t80 -36.45 -63.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 4.4 t80 -52.1 -50.82 60.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 HG21 ' A' ' 54' ' ' THR . 52.4 mt -51.07 -36.32 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.628 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 2.0 m-85 -82.15 -58.29 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.893 ' CD2' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -37.55 -70.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 6.4 m-85 -152.57 64.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -123.83 -112.64 2.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CE1' HG21 ' A' ' 51' ' ' ILE . 12.3 m-85 -131.06 -19.05 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 0.8 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.912 HD21 HG21 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -49.74 134.96 19.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -119.7 137.41 53.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 114' ' ' ASN . 8.5 t70 -161.6 93.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -54.85 118.0 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.42 ' OD1' HD13 ' A' ' 118' ' ' ILE . 0.3 OUTLIER 171.85 165.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -125.5 75.78 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' C ' ' CG ' ' A' ' 117' ' ' GLN . 6.1 mttm 68.93 -173.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.498 ' CG ' ' C ' ' A' ' 116' ' ' LYS . 0.2 OUTLIER 65.82 8.13 5.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -112.81 -166.93 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.667 HD11 HG22 ' A' ' 68' ' ' VAL . 7.2 mm -41.27 -63.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 124' ' ' GLU . 13.3 ttpt -39.19 -39.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.2 tptt -64.79 -61.7 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.637 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.74 -65.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.765 ' CE1' HD13 ' A' ' 71' ' ' ILE . 2.4 m-85 -40.63 -41.83 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.8 tt0 -75.39 -36.92 60.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -52.01 -27.52 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.912 ' O ' HG22 ' A' ' 130' ' ' ILE . 16.0 mt -91.24 -63.41 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.7 -27.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 131' ' ' ALA . 8.6 m-20 -87.88 -63.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -47.13 -44.34 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -65.04 -34.94 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -70.24 -7.24 40.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 12.8 t0 -80.64 -25.16 38.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -96.47 -34.94 11.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 25' ' ' LEU . 54.0 mt -56.0 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 10.5 t-20 85.44 -47.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 66.2 91.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.498 0.189 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.56 165.84 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 mp0 -70.02 -93.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.555 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.9 p30 154.27 156.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 2.0 t-20 86.29 -156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.556 HG22 ' N ' ' A' ' 7' ' ' LYS . 8.7 mm -37.16 -76.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -29.84 -52.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -55.99 -57.94 10.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.0 mt-30 -49.53 -32.85 13.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.65 HD12 ' HD2' ' A' ' 7' ' ' LYS . 14.1 mt -62.39 -59.85 4.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -38.47 -55.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.5 -54.82 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CE2' ' OD1' ' A' ' 49' ' ' ASN . 12.6 m-30 -58.73 -71.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -44.4 -53.3 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.91 -37.24 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -88.41 40.5 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -140.91 -65.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.89 -179.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.253 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.32 -73.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.7 p -85.09 -178.39 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -92.11 -37.64 12.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -74.7 -4.98 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -35.8 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -64.59 -49.46 71.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD13 HD21 ' A' ' 134' ' ' LEU . 5.6 mt -55.15 -32.98 62.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.04 -21.25 40.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.593 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 1.3 t80 -74.52 -60.84 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' NE ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -38.58 -30.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -88.29 -64.13 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -45.61 -54.71 7.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.812 HG21 ' CG ' ' A' ' 106' ' ' HIS . 2.5 m -38.88 -42.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 33.99 5.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -170.54 60.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.56 -82.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.973 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.82 -74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.825 HG22 ' HB2' ' A' ' 39' ' ' SER . 11.2 t -126.11 -150.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.618 ' CE1' ' CD1' ' A' ' 107' ' ' PHE . 0.3 OUTLIER -103.4 -36.57 7.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.514 ' H ' HG23 ' A' ' 36' ' ' THR . 4.9 t -80.84 5.01 17.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.825 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.3 OUTLIER -104.41 -30.15 10.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.593 HG11 ' CZ ' ' A' ' 27' ' ' PHE . 53.7 t -45.43 164.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.902 ' O ' HG12 ' A' ' 42' ' ' VAL . 1.4 t70 -65.87 -163.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.902 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 55.95 141.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -75.0 148.28 35.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 34.6 mt -81.73 -38.34 25.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -37.43 -56.96 1.55 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.272 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.02 -52.06 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 50' ' ' ILE . 15.4 mm -44.14 -51.48 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -29.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.58 ' OD1' ' CE2' ' A' ' 13' ' ' PHE . 4.6 t-20 -73.66 -41.61 62.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.807 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -82.88 6.34 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.62 HG21 ' CE1' ' A' ' 109' ' ' PHE . 2.7 mt -99.9 -23.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -87.51 39.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -111.71 -23.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 63' ' ' ILE . 1.7 p -108.4 28.18 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -64.74 -68.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.66 148.78 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 61' ' ' ILE . 7.0 pm0 -67.05 -27.94 67.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 16.2 t-20 -64.98 -25.84 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 38.4 mm-40 -72.66 -58.71 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -43.6 -43.47 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 57' ' ' GLU . 6.1 mt -64.83 -65.01 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 66' ' ' ILE . 25.5 mt-10 -51.68 -27.23 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.894 HG21 HD11 ' A' ' 110' ' ' LEU . 65.5 mt -73.03 -54.67 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.97 -60.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -37.8 75.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -60.54 -41.72 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -58.99 -43.93 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' CG2' HD11 ' A' ' 119' ' ' ILE . 45.1 t -62.03 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -39.96 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 2.6 t-20 -89.66 -60.87 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD13 ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -44.59 -44.77 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -50.33 70.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.6 m -66.93 -33.51 75.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.746 HD23 HG21 ' A' ' 77' ' ' VAL . 4.5 mt -62.96 -13.28 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.66 37.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 m -168.55 31.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.746 HG21 HD23 ' A' ' 74' ' ' LEU . 68.0 t -91.72 -0.52 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.15 125.73 3.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.422 1.076 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.3 p -56.16 177.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.6 128.48 32.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.68 86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 21.6 m-85 -41.42 128.62 3.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -71.02 -3.96 22.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.022 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.99 -46.72 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.7 -42.66 2.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -79.91 56.16 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.781 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 4.5 t80 -148.73 -48.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -41.2 86.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.5 p -71.22 -64.2 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 2.6 m-20 -94.04 102.59 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 96' ' ' ILE . 56.5 m -86.83 -41.72 13.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -41.57 -50.67 9.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.04 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.58 -24.93 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.53 HG22 HD12 ' A' ' 97' ' ' ILE . 1.2 mt -74.32 -55.06 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.045 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -54.52 -41.51 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CE2' ' CE2' ' A' ' 102' ' ' TYR . 13.6 t80 -71.41 -23.71 61.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.479 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 52.0 t -83.65 -69.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 108.265 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.807 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.09 -38.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.668 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -73.8 -50.35 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.609 ' CE2' ' CE2' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -41.73 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -50.47 -44.4 55.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 104' ' ' LEU . 13.0 mt -49.97 -42.96 49.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -81.16 -55.49 4.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.812 ' CG ' HG21 ' A' ' 31' ' ' THR . 2.2 m80 -37.78 -60.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.591 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD1' ' CE1' ' A' ' 37' ' ' PHE . 87.3 m-85 -163.13 64.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.67 -108.65 1.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.62 ' CE1' HG21 ' A' ' 51' ' ' ILE . 7.0 m-85 -126.38 -34.43 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.894 HD11 HG21 ' A' ' 63' ' ' ILE . 3.4 mt -48.79 149.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -129.46 147.15 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -127.57 121.67 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.92 169.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' CB ' ' HG2' ' A' ' 117' ' ' GLN . 19.0 m120 58.82 -176.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -99.6 93.13 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER 36.23 86.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 114' ' ' ASN . 14.5 pt20 -159.43 26.73 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.74 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -138.71 -146.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.74 ' N ' HG23 ' A' ' 118' ' ' ILE . 1.9 mp -38.43 -57.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -42.13 -52.35 4.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -54.49 34.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.699 ' O ' HG22 ' A' ' 125' ' ' THR . . . -58.16 -64.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.666 ' CD1' HD13 ' A' ' 71' ' ' ILE . 3.1 m-85 -41.61 -44.96 3.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -69.75 -34.81 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -57.0 -27.71 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.693 HD12 HD13 ' A' ' 74' ' ' LEU . 6.8 mt -92.88 -60.03 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 102' ' ' TYR . . . -41.51 -28.71 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.559 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 17.9 t70 -86.43 -60.38 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -49.91 -49.2 50.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.022 HD11 ' HB2' ' A' ' 85' ' ' ALA . 7.5 tt -54.86 -19.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -90.09 20.17 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -88.29 -25.66 22.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.571 ' CD2' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -112.53 -31.56 6.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.799 HD21 HD13 ' A' ' 25' ' ' LEU . 81.3 mt -45.61 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 62.46 67.97 0.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 60.93 69.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.513 0.197 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 66.07 172.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 38.87 61.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' CB ' ' HG3' ' A' ' 8' ' ' GLU . 18.2 p-10 -113.96 154.35 27.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' ILE . 11.0 p-10 -168.9 -155.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 6' ' ' ILE . 18.8 mm -40.45 -60.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.055 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -46.28 -55.96 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 4' ' ' ASN . 1.2 tm-20 -53.84 -46.37 71.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -53.41 -28.36 29.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' ' 7' ' ' LYS . 10.8 mt -68.48 -57.38 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' OE1' ' A' ' 93' ' ' GLU . 0.9 OUTLIER -41.02 -58.62 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLN . 25.1 p -43.53 -64.22 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 19.4 m-85 -42.59 -72.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -46.1 -44.33 15.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.51 -31.87 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' SER . 4.4 mt-30 -73.9 -10.49 59.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -89.1 -74.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -84.98 -167.42 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 108.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' THR . 80.4 p -150.45 -52.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 23' ' ' GLU . 62.2 p -44.39 170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.38 -25.76 14.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 109.609 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' ASP . 59.7 mt-30 -76.79 1.59 16.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 22' ' ' GLN . 81.8 mt-10 -33.78 -46.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HD3' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -62.34 -55.97 22.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.704 ' HA ' HD11 ' A' ' 28' ' ' ILE . 7.4 mt -67.52 -10.86 55.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' GLN . 11.3 m-20 -90.62 -34.27 15.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 31' ' ' THR . 2.7 m-30 -67.4 -66.48 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.73 -31.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.2 m -90.54 -79.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' ASP . 66.1 m -38.35 -57.83 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 29.7 m -36.67 -43.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 31.97 6.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' CYS . 16.7 mm-40 -140.82 33.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.3 t -135.15 -101.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.74 -53.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 37' ' ' PHE . 11.6 t -124.75 -151.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' N ' HG23 ' A' ' 36' ' ' THR . 13.9 m-85 -104.39 -43.76 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.643 ' HB2' HD11 ' A' ' 44' ' ' LEU . 29.8 t -69.46 -6.51 30.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.586 ' HB2' HG22 ' A' ' 36' ' ' THR . 22.6 t -85.03 -28.05 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG21 ' HZ ' ' A' ' 107' ' ' PHE . 59.5 t -55.47 161.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 8.0 t70 -85.06 63.96 8.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.716 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 9.1 p -166.0 140.35 3.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' C ' ' HD2' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.97 145.29 31.39 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.445 1.76 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 38' ' ' SER . 32.8 mt -81.7 -33.55 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -41.06 -55.96 4.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -74.97 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.678 HG22 ' CD1' ' A' ' 51' ' ' ILE . 19.7 mm -47.42 -50.44 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 1.1 mtpt -50.59 -22.79 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 6.6 t-20 -78.61 -39.07 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 100' ' ' VAL . 3.5 pt -84.71 0.03 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 47' ' ' ILE . 21.1 mt -97.59 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -89.95 37.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.65 -33.33 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.818 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.5 p -97.18 24.79 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -68.17 -69.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.78 134.84 24.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.708 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -56.18 -21.26 21.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.21 -48.29 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -56.57 -55.35 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -53.13 -40.8 64.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.2 mt -61.61 -59.55 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -55.28 -29.1 57.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.818 ' CD1' HG22 ' A' ' 54' ' ' THR . 36.7 mt -73.19 -51.38 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -42.02 -63.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 64' ' ' THR . 1.8 mttp -55.39 -42.26 73.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -48.72 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.65 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -58.48 -42.71 88.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 64' ' ' THR . 39.5 t -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -40.51 -51.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' THR . 4.5 t-20 -74.47 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.607 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -40.75 -59.24 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -47.82 -41.09 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ASN . 23.4 m -72.69 -30.9 64.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.584 HD23 ' CG2' ' A' ' 77' ' ' VAL . 6.2 mt -61.33 -13.04 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 p -84.39 42.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.6 m -170.41 -61.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.674 ' CG1' ' CE1' ' A' ' 87' ' ' PHE . 72.2 t 38.95 74.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.57 -172.42 13.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 -61.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.5 p -88.48 93.46 9.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.402 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 148.76 -171.72 29.04 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -168.96 -51.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 20.1 m-85 -40.35 112.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.583 ' SD ' HD21 ' A' ' 74' ' ' LEU . 8.7 tpt -73.22 -4.68 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -72.74 -53.78 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 t -53.22 -26.37 17.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.674 ' CE1' ' CG1' ' A' ' 77' ' ' VAL . 4.0 m-85 -83.35 47.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 3.6 t80 -125.87 -43.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -32.31 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 91' ' ' ASN . 15.1 p -49.92 -44.92 50.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.496 ' HB3' ' CD ' ' A' ' 94' ' ' PRO . 16.7 m120 -166.93 134.42 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.533 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.4 p -84.7 -43.64 14.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.685 ' OE1' HD11 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -38.27 -52.59 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.496 ' CD ' ' HB3' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.04 -50.37 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -53.28 -27.23 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 mt -70.17 -56.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.055 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -51.31 -43.46 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -61.02 -32.15 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' TYR . 51.4 t -74.4 -69.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.658 HG22 HD12 ' A' ' 50' ' ' ILE . 1.5 t -42.03 -54.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 97' ' ' ILE . 6.2 mm -50.25 -62.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.805 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -38.63 -68.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.791 ' CZ ' ' CE2' ' A' ' 107' ' ' PHE . 24.8 t80 -40.07 -60.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' PHE . 45.5 mt -38.7 -73.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 1.043 ' CE2' HD13 ' A' ' 110' ' ' LEU . 13.4 m-85 -47.24 -50.79 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.511 ' HE2' ' HD2' ' A' ' 102' ' ' TYR . 6.1 m-70 -45.82 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.791 ' CE2' ' CZ ' ' A' ' 103' ' ' PHE . 3.9 m-30 -51.17 -31.62 20.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.26 63.23 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -124.38 -46.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 105' ' ' TYR . 0.9 OUTLIER -68.28 137.19 54.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 150.1 37.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.22 125.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -65.74 -167.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 115' ' ' LYS . 13.5 p30 -118.37 149.23 41.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.077 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER 172.26 -170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.92 1.43 39.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' O ' ' CG ' ' A' ' 117' ' ' GLN . 6.7 pt20 -169.72 120.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 119' ' ' ILE . 2.7 tp -127.16 166.64 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.666 HG21 ' CE2' ' A' ' 105' ' ' TYR . 20.3 mm -38.65 -68.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 119' ' ' ILE . 3.5 ttpt -40.19 -47.99 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -50.72 -49.56 57.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.239 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.607 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.85 -66.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.805 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 11.7 m-30 -46.04 -24.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -84.37 -36.99 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -62.39 -29.03 70.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.556 HD13 HD22 ' A' ' 74' ' ' LEU . 2.3 mt -90.33 -54.14 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 126' ' ' ILE . . . -39.63 -30.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -87.58 -52.15 5.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -54.35 -32.12 56.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.1 tt -82.72 -27.09 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.77 4.63 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -84.8 -22.21 29.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -104.82 -23.8 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 131' ' ' ALA . 19.7 mt -48.82 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 64.22 85.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -113.77 37.29 3.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.3 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtm . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.514 0.197 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -77.18 -63.07 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' C ' ' OD1' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -65.18 -63.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 0.8 OUTLIER 74.33 -176.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.53 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 3.1 m-20 153.74 -171.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 26.8 mm -38.1 -53.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -54.95 -53.66 52.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -56.9 -42.39 79.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.604 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.3 mt-30 -50.78 -38.65 49.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 7.8 mt -64.39 -54.18 36.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.712 HD11 ' HE3' ' A' ' 7' ' ' LYS . 1.3 mp -50.43 -65.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -33.11 -54.25 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 9' ' ' GLN . 6.3 m-30 -54.7 -63.71 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 5.6 t80 -63.77 -9.14 12.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -83.08 -35.15 25.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 6.2 pt20 -82.2 7.6 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.758 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -108.73 -66.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' CB ' ' HG3' ' A' ' 23' ' ' GLU . 32.0 p -57.04 -165.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.334 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -77.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -73.13 165.97 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -77.11 -18.74 57.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.556 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -88.61 0.86 55.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG3' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.76 -39.4 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.563 ' CD ' ' CE1' ' A' ' 88' ' ' PHE . 24.0 ptt85 -63.41 -52.18 62.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 134' ' ' LEU . 7.4 mt -64.31 -27.66 69.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' SER . 2.2 t70 -82.44 -25.29 33.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -69.24 -62.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.904 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -36.81 -34.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.53 -75.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 29' ' ' CYS . 8.7 t -33.66 -38.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 99.2 m -77.76 50.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 33' ' ' GLU . 10.0 ptt180 -176.29 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CG ' ' A' ' 32' ' ' ARG . 2.2 mt-10 -90.78 27.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.4 p -120.94 -109.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -171.49 -58.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.618 HG23 ' N ' ' A' ' 37' ' ' PHE . 15.1 t -115.78 -145.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.737 ' CD1' ' CG ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -114.7 -27.01 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.616 ' H ' HG23 ' A' ' 36' ' ' THR . 40.1 t -77.02 -4.16 42.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -93.9 -31.69 14.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' VAL . 75.2 t -59.22 151.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.48 72.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.758 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.4 p -175.89 130.71 0.4 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 150.32 38.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.0 mt -80.87 -31.5 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 mt-10 -42.38 -58.78 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.912 HD13 ' CD1' ' A' ' 50' ' ' ILE . 2.3 mm -45.76 -48.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -46.63 -27.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -77.01 -42.32 39.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.963 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -78.76 1.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.844 HD12 HG22 ' A' ' 47' ' ' ILE . 10.7 mt -102.35 -38.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -60.13 -14.9 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -67.3 -29.53 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.771 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.3 p -106.84 18.24 22.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 15.5 mmtt -93.92 25.17 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' CG ' ' NE2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.15 138.37 31.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.5 tt0 -48.23 -79.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 57' ' ' GLU . 22.9 m120 -32.47 -45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 56' ' ' ASP . 3.4 mp0 -64.05 -67.39 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -47.51 -32.78 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.6 mt -70.03 -63.0 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.6 mt-10 -53.2 -27.42 21.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 110' ' ' LEU . 18.9 mt -71.93 -54.59 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -40.49 -58.16 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' N ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -62.93 -50.24 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.2 mt -46.52 -44.55 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -58.31 -45.71 87.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 119' ' ' ILE . 15.5 t -68.1 -42.64 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -56.52 -29.03 61.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' CG ' ' CE1' ' A' ' 98' ' ' PHE . 27.8 m120 -92.35 -36.82 12.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -66.72 -49.75 71.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 73' ' ' THR . 4.4 ptmt -47.46 -38.8 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 4.1 m -73.46 -35.3 65.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.374 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.715 HD23 HG21 ' A' ' 77' ' ' VAL . 3.2 mt -58.41 -17.5 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.29 34.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.97 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG21 HD23 ' A' ' 74' ' ' LEU . 41.2 t -93.89 -5.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.15 -56.12 3.11 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.93 -54.35 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 80' ' ' THR . 9.4 t -109.3 77.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.04 -165.64 23.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.52 -73.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 133' ' ' TYR . 21.5 m-30 -79.12 145.96 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 19.2 mmt -72.11 -39.52 68.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -58.69 -46.06 88.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -41.23 -54.68 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -46.42 -39.34 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.632 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.9 t80 -55.64 -21.43 17.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 t -61.57 -57.19 13.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 61.9 p -74.27 -71.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.407 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 1.1 t-20 -82.63 82.57 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 96' ' ' ILE . 57.6 p -89.43 -47.93 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 6.4 mt-10 -42.52 -50.63 12.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.94 -50.51 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.454 1.765 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.632 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.86 -20.79 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.555 HG21 ' CG1' ' A' ' 11' ' ' ILE . 1.5 mt -76.05 -60.4 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.475 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.2 mp -40.69 -33.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.604 ' CE1' ' CG ' ' A' ' 70' ' ' ASN . 5.1 m-30 -71.82 -47.51 52.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' ILE . 16.6 t -44.19 -41.05 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.963 HG22 HD12 ' A' ' 50' ' ' ILE . 0.9 OUTLIER -69.6 -42.44 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 123' ' ' TYR . 3.3 mm -62.79 -34.84 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 3.6 m-85 -61.77 -73.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' TYR . 48.9 t80 -36.39 -50.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 HG21 ' A' ' 54' ' ' THR . 86.0 mt -50.0 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.9 m-85 -51.83 -24.81 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.1 OUTLIER -61.32 -34.3 75.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.574 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.737 ' CG ' ' CD1' ' A' ' 37' ' ' PHE . 15.2 m-85 -115.76 39.54 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' PHE . . . 36.63 58.88 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.23 -47.03 3.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -62.94 138.54 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -103.11 124.79 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -126.82 177.04 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -92.3 34.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 116' ' ' LYS . 2.8 t-20 -172.48 54.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -39.81 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ASN . 1.3 mmtm -174.86 -174.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.606 ' O ' ' C ' ' A' ' 118' ' ' ILE . 2.6 pt20 -58.31 -56.53 20.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER 22.85 -102.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.653 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.8 mm -56.92 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 117' ' ' GLN . 2.4 tttp -37.69 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 119' ' ' ILE . 3.6 tptt -63.82 -60.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.687 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.87 -69.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.789 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 10.5 m-85 -43.51 -32.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 3.6 tt0 -78.58 -37.74 41.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.4 t -61.22 -25.69 67.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.657 HD12 HD13 ' A' ' 74' ' ' LEU . 3.7 mt -95.17 -56.75 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.592 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.6 -29.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 131' ' ' ALA . 27.0 t0 -90.42 -59.06 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 2.7 m120 -47.21 -44.74 22.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.7 tt -57.09 -32.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -74.87 1.76 11.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 41.1 t0 -85.96 -32.01 21.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.777 ' CD1' ' CD1' ' A' ' 83' ' ' TYR . 9.3 p90 -131.88 37.31 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.07 -79.64 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -178.66 -75.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -157.93 82.11 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.5 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 170.89 108.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 68.79 -147.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.4 m120 -52.99 -174.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER 82.18 -8.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.69 -66.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HD3' HD11 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -40.23 -52.89 2.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.4 -50.41 73.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -36.32 55.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' N ' HD23 ' A' ' 10' ' ' LEU . 5.3 mt -57.65 -56.82 16.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.799 HG13 HG21 ' A' ' 96' ' ' ILE . 1.1 mp -46.61 -69.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.507 ' N ' HG22 ' A' ' 11' ' ' ILE . 29.7 m -38.57 -67.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' HG22 ' A' ' 50' ' ' ILE . 5.6 m-30 -37.67 -79.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -43.01 -36.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.2 t-20 -51.58 -37.5 50.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.0 mt-30 -86.72 40.82 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -145.25 -71.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.94 -167.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.338 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -84.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 p -60.06 179.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 -90.18 -40.93 11.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASP . 7.7 mt-30 -52.49 -28.55 20.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -42.19 -49.17 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' NH2' ' CZ ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -55.96 -60.93 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.654 ' HA ' HD11 ' A' ' 28' ' ' ILE . 13.9 mt -59.77 -20.83 59.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -83.09 -31.31 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE1' ' CD1' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -69.44 -60.71 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.654 HD11 ' HA ' ' A' ' 25' ' ' LEU . 3.3 pt -39.26 -30.01 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -87.27 -60.24 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.351 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.02 -63.04 1.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.746 HG21 ' HB3' ' A' ' 106' ' ' HIS . 5.4 m -48.54 -22.56 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.79 33.9 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -169.54 41.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' PHE . 1.7 m -164.12 87.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -35.25 39.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.83 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -67.9 -21.3 65.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 40.4 m-85 48.45 21.31 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.83 ' H ' HG23 ' A' ' 36' ' ' THR . 8.7 t -121.95 -6.25 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.1 t -89.15 -10.18 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.47 156.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -66.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.608 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.7 p -50.39 136.84 23.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 149.7 37.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD11 ' HA ' ' A' ' 38' ' ' SER . 11.0 mt -81.4 -24.63 36.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.4 mt-10 -48.76 -58.94 7.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -75.0 -44.42 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.025 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.773 HD13 HD11 ' A' ' 50' ' ' ILE . 4.1 mm -52.29 -36.39 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -13.38 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 46' ' ' PRO . 29.9 t30 -88.9 -36.87 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.02 HD12 HG22 ' A' ' 100' ' ' VAL . 6.0 pt -85.1 -1.67 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.599 ' HA ' HD21 ' A' ' 104' ' ' LEU . 14.0 mt -88.3 -40.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -62.85 -13.11 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 50' ' ' ILE . 5.9 tp -53.15 -31.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.451 HG22 HD13 ' A' ' 63' ' ' ILE . 6.0 p -100.12 20.98 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -61.94 -39.13 91.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.07 145.12 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.8 pt-20 -65.56 -33.28 75.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -60.23 -44.53 95.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.77 -45.53 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -53.95 -54.81 33.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mt -50.38 -65.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.1 tt0 -53.05 -27.65 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.782 HG21 HD21 ' A' ' 110' ' ' LEU . 13.4 mt -73.79 -52.72 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -40.69 -59.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.12 -47.26 85.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 62' ' ' GLU . 3.1 mt -51.67 -41.02 27.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 64' ' ' THR . . . -59.3 -43.93 92.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' ASN . 43.6 t -64.53 -48.34 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -40.98 -29.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -95.49 -53.56 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.3 OUTLIER -48.7 -49.03 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -42.37 21.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -57.76 -29.97 65.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.001 HD13 HD12 ' A' ' 126' ' ' ILE . 36.6 mt -82.13 48.97 1.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.47 -6.88 54.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 -69.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.908 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t 59.15 80.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.722 ' O ' ' HB3' ' A' ' 79' ' ' ALA . . . -159.98 175.33 36.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 78' ' ' GLY . . . 85.94 -47.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 80' ' ' THR . 9.8 t -110.3 59.53 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 149.99 -132.95 4.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.538 1.149 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -162.05 -58.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 63.6 m-85 -113.08 159.11 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 126' ' ' ILE . 1.1 mpt? -56.88 -19.89 20.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.881 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -62.4 -46.78 87.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -49.86 -24.61 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CD1' HG13 ' A' ' 77' ' ' VAL . 1.5 t80 -87.65 50.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 1.019 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 18.4 t80 -143.02 -44.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -45.54 73.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -51.89 -40.99 61.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 70.7 m-20 -137.8 108.33 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.868 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -84.36 -44.05 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -37.73 -52.85 2.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.801 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.019 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -48.51 -31.26 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 92' ' ' SER . 2.0 mt -71.85 -57.08 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.573 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.4 mp -60.52 -35.49 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.747 ' CZ ' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -71.71 -27.36 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 9.0 t -75.32 -58.74 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 1.02 HG22 HD12 ' A' ' 50' ' ' ILE . 2.6 t -40.13 -54.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.0 mm -51.27 -58.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.771 ' HE2' ' HB2' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -43.93 -72.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.786 ' CE2' ' CE1' ' A' ' 107' ' ' PHE . 1.3 t80 -34.12 -59.37 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD21 ' HA ' ' A' ' 51' ' ' ILE . 24.7 mt -44.35 -67.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.7 m-85 -54.09 -49.16 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.746 ' HB3' HG21 ' A' ' 31' ' ' THR . 0.0 OUTLIER -52.56 -51.5 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CE1' ' CE2' ' A' ' 103' ' ' PHE . 2.9 m-85 -68.47 -36.8 79.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.09 77.75 1.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -141.05 -53.56 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.782 HD21 HG21 ' A' ' 63' ' ' ILE . 1.5 mt -59.46 151.69 23.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -104.32 140.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.581 ' OD1' HG21 ' A' ' 118' ' ' ILE . 3.1 p30 -146.53 123.93 11.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -78.91 150.4 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.469 ' HB3' HD13 ' A' ' 118' ' ' ILE . 6.0 t-20 70.05 129.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.4 82.03 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.64 122.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 38.72 36.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.648 HG23 ' N ' ' A' ' 119' ' ' ILE . 1.6 tp -81.44 -172.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.839 HG22 ' CD2' ' A' ' 123' ' ' TYR . 13.6 mm -48.19 -71.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 105' ' ' TYR . 0.0 OUTLIER -42.24 -47.21 4.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -43.94 62.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.03 -64.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.839 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.4 m-85 -40.48 -31.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -80.76 -42.55 21.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.23 -28.19 10.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 1.001 HD12 HD13 ' A' ' 74' ' ' LEU . 15.4 mt -90.78 -62.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -39.73 -29.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -82.06 -64.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 3.4 t-20 -49.79 -48.94 50.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.881 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -55.82 -22.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.82 10.39 16.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 51.6 t0 -74.07 -55.48 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -76.28 -20.41 57.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 131' ' ' ALA . 14.6 mt -49.95 -80.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 67.74 85.78 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.57 71.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.03 -169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 68.47 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.553 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 1.9 m-20 -159.68 155.41 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.553 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 3.5 t-20 85.93 -155.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 53' ' ' ILE . 11.7 mm -39.84 -72.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.626 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -31.47 -47.17 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.249 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -57.2 9.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -47.99 -40.56 22.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.26 -60.67 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -39.64 -61.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 11' ' ' ILE . 1.1 t -38.98 -62.34 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 18.3 m-85 -53.72 -72.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -43.08 -36.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -64.49 -41.41 96.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.9 mt-30 -73.0 -3.3 25.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -107.25 -88.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 15.8 p -97.7 110.47 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.51 -72.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 p -40.91 152.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 89' ' ' SER . 0.5 OUTLIER -75.63 -47.78 25.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.655 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.23 -35.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.79 -35.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HD3' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.05 -52.32 63.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.688 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.6 mt -67.06 -21.09 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.6 m-20 -81.67 -26.55 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 1.7 m-30 -72.72 -66.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -38.62 -32.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' PHE . 49.2 t -90.21 -76.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 108.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 19.6 m -40.79 -61.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' HB3' ' A' ' 106' ' ' HIS . 30.2 m -39.31 -51.46 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.69 34.84 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -167.88 50.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -136.88 -102.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -170.92 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 38' ' ' SER . 1.1 t -131.85 170.57 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 107' ' ' PHE . 3.0 m-85 -64.28 -38.68 91.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.785 ' CA ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -78.45 4.56 12.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 36' ' ' THR . 9.4 t -100.2 -18.72 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.965 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 41' ' ' ASP . 97.8 t -72.07 164.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -68.38 -57.19 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 47' ' ' ILE . 6.0 p -44.08 138.12 3.47 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 145.21 31.2 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.462 1.77 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD11 ' CA ' ' A' ' 38' ' ' SER . 12.6 mt -82.11 -28.66 32.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -45.87 -57.37 8.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.06 -48.79 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HD12 ' A' ' 51' ' ' ILE . 11.3 mm -45.78 -50.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -47.25 -27.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.598 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -75.38 -42.61 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 100' ' ' VAL . 2.3 pt -82.51 4.57 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.669 HD12 HG22 ' A' ' 47' ' ' ILE . 10.6 mt -102.36 -29.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.61 36.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -108.05 -38.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.767 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.7 p -89.76 14.13 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -7.28 54.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 1.6 m-20 -104.8 139.48 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 58' ' ' ASN . 1.9 tt0 -50.88 -81.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 57' ' ' GLU . 1.2 m-20 -35.36 -36.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -64.42 -59.15 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' CG ' ' HD3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -57.53 -27.78 62.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 2.4 mt -76.39 -56.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -57.07 -31.34 65.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.781 HG21 HD21 ' A' ' 110' ' ' LEU . 15.6 mt -65.81 -51.39 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.97 -58.75 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.79 -43.82 97.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.4 mt -53.07 -54.1 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.87 -45.66 41.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.869 HG22 HD11 ' A' ' 119' ' ' ILE . 6.8 t -64.74 -51.82 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.9 t30 -39.75 -31.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -97.84 -54.87 2.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -46.13 -56.46 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.92 -36.32 7.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.8 m -76.87 -32.31 57.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 110.425 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 77' ' ' VAL . 6.1 mt -60.15 -15.46 24.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 m -65.2 -10.38 31.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.074 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.32 -8.85 24.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 74' ' ' LEU . 7.1 t -94.32 60.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.44 -105.68 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.74 -53.13 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -111.79 29.63 7.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.16 -140.39 11.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' O ' ' O ' ' A' ' 83' ' ' TYR . 0.7 OUTLIER 177.71 80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 6.1 m-85 35.84 93.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 87' ' ' PHE . 2.0 tmt? -36.04 -32.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.9 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.16 -45.64 33.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 0.4 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.2 m-85 -85.43 44.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 1.006 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 14.9 t80 -132.62 -45.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 20.1 p -64.42 -48.69 74.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.7 p -56.39 -56.42 21.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.49 ' HB2' ' CG ' ' A' ' 94' ' ' PRO . 35.8 p-10 -113.17 101.86 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.809 ' O ' HD12 ' A' ' 96' ' ' ILE . 1.4 m -84.26 -41.7 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 1.5 mt-10 -38.0 -53.46 2.76 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.162 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.49 ' CG ' ' HB2' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -75.03 -49.1 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.006 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -47.48 -27.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.809 HD12 ' O ' ' A' ' 92' ' ' SER . 1.4 mt -76.24 -59.78 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -51.4 -35.49 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -63.42 -63.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 -59.26 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.954 HG22 HD12 ' A' ' 50' ' ' ILE . 4.2 t -43.86 -61.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.672 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.2 mm -53.58 -46.07 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 123' ' ' TYR . 1.2 m-85 -57.68 -75.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -36.47 -51.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.0 mt -53.03 -50.05 65.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.3 m-85 -68.82 -44.17 74.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.527 ' HB3' HG22 ' A' ' 31' ' ' THR . 17.1 m-70 -41.4 -60.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 22.3 m-85 -67.21 -63.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 51' ' ' ILE . 13.8 m-85 -91.34 -58.15 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 63' ' ' ILE . 1.4 mt -55.44 147.07 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.432 ' HD3' ' CG ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -55.87 106.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.96 87.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 115' ' ' LYS . 2.8 t-20 -40.17 154.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -70.31 61.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' ASN . 1.9 tttt -170.24 -44.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.99 142.86 40.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.531 ' O ' ' C ' ' A' ' 118' ' ' ILE . 1.2 mm-40 -120.76 -71.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.562 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER 30.45 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.893 HG22 ' CD2' ' A' ' 123' ' ' TYR . 5.9 mm -59.4 -64.43 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 117' ' ' GLN . 10.2 tttm -46.71 -25.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CG ' ' HB3' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.23 -65.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.893 ' CD2' HG22 ' A' ' 119' ' ' ILE . 3.5 m-85 -41.47 -40.37 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -70.85 -38.06 73.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.6 OUTLIER -57.22 -28.28 62.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.64 HD13 HD22 ' A' ' 74' ' ' LEU . 3.2 mt -93.94 -56.43 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 130' ' ' ILE . . . -46.8 -25.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 131' ' ' ALA . 71.2 m-20 -89.37 -60.24 2.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -49.95 -34.93 22.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.9 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -69.72 -30.86 46.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.83 2.96 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -82.06 -30.75 31.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -93.17 -18.78 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 131' ' ' ALA . 23.4 mt -59.14 -87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.28 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 54.33 73.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.526 0.203 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 175.35 -70.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.44 -73.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.26 -68.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -104.78 -27.53 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 9' ' ' GLN . 31.2 mm -57.07 -86.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -39.93 -29.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' ILE . 3.2 tt0 -64.64 -52.05 59.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.28 -28.36 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 7.8 mt -63.06 -47.97 80.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.685 HD11 ' NZ ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -53.85 -58.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -41.4 -63.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HD2' HG22 ' A' ' 50' ' ' ILE . 4.6 m-30 -36.53 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.791 ' CD1' HG21 ' A' ' 50' ' ' ILE . 1.2 m-85 -30.48 -48.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.5 t-20 -37.95 -46.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.4 pt20 -80.89 47.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -160.48 -73.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HB3' HG23 ' A' ' 42' ' ' VAL . 28.9 p -132.46 106.75 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 27.68 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.0 p -77.59 -159.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -104.99 -53.87 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.559 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' ASP . 23.0 mt-30 -74.81 -2.3 26.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -37.53 -35.18 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG3' HD23 ' A' ' 25' ' ' LEU . 1.6 ptp85 -77.53 -50.69 12.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' HG3' ' A' ' 24' ' ' ARG . 12.9 mt -68.7 -7.96 38.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLN . 3.0 m-20 -87.78 -38.75 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' THR . 3.2 m-85 -67.11 -61.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.838 HD12 HG21 ' A' ' 130' ' ' ILE . 2.2 pt -49.3 -25.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 32' ' ' ARG . 46.5 t -86.93 -73.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 108.259 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -41.71 -48.77 4.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 HG21 ' CE2' ' A' ' 102' ' ' TYR . 86.7 m -48.37 -41.18 27.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -98.05 18.64 15.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -148.23 48.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -168.8 91.02 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -48.82 -29.89 5.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.749 HG23 ' N ' ' A' ' 37' ' ' PHE . 1.8 t -103.59 -155.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.749 ' N ' HG23 ' A' ' 36' ' ' THR . 0.3 OUTLIER -123.95 -37.73 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.932 ' HA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -61.65 -13.07 19.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -80.4 -48.74 12.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -43.49 146.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.935 ' O ' HG12 ' A' ' 42' ' ' VAL . 9.4 t0 -56.97 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.935 HG12 ' O ' ' A' ' 41' ' ' ASP . 3.4 p 56.68 142.72 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 147.47 33.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.932 HD11 ' HA ' ' A' ' 38' ' ' SER . 24.9 mt -82.03 -11.77 58.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.1 mt-10 -61.87 -59.8 12.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.562 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.2 Cg_endo -75.06 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 50' ' ' ILE . 6.7 mm -51.74 -40.82 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -63.0 -12.4 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 7.3 t-20 -85.05 -37.25 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.791 HG21 ' CD1' ' A' ' 14' ' ' PHE . 29.6 pt -85.85 -7.75 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.5 mt -77.82 -23.23 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -90.07 26.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.785 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -100.76 -28.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.57 HG22 HD13 ' A' ' 63' ' ' ILE . 4.4 p -98.65 -17.49 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HE3' ' CD2' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -44.08 -44.12 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 6.6 m-20 -63.71 144.59 56.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 2.2 tt0 -58.75 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 57' ' ' GLU . 72.5 m-20 -37.46 -35.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 4.4 mm-40 -57.89 -54.11 50.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 2.5 mm-40 -51.53 -52.61 45.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -63.56 -52.67 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -55.2 -29.7 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 110' ' ' LEU . 22.4 mt -67.96 -46.68 81.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.99 -56.66 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.389 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.44 80.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mt -62.01 -47.76 91.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -57.58 -44.99 85.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 64' ' ' THR . 36.8 t -60.03 -38.6 77.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -51.95 -22.71 4.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -92.29 -37.69 12.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.685 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -69.86 -49.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -52.23 -26.3 11.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 m -86.94 -41.59 13.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.939 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -49.32 -26.83 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.85 62.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.9 OUTLIER -170.19 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.57 HG21 HD23 ' A' ' 74' ' ' LEU . 21.7 t -37.43 98.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -94.47 -143.42 13.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 80' ' ' THR . . . -46.26 -59.58 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 79' ' ' ALA . 61.0 p 37.53 -155.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -45.53 -48.12 12.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.566 1.167 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 174.95 -70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CE2' ' CD1' ' A' ' 133' ' ' TYR . 52.1 m-85 -116.31 -164.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.583 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mmt -77.09 0.53 21.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.905 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -82.3 -44.34 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' SER . 55.5 m -63.49 -46.23 87.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -48.88 -55.83 10.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.4 m-85 -61.35 -16.25 44.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 86' ' ' SER . 0.9 OUTLIER -63.83 -61.85 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.1 p -70.08 -41.99 73.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.505 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 3.9 t-20 -93.34 89.4 6.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 96' ' ' ILE . 52.4 p -86.5 -47.37 9.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -37.37 -53.4 2.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -75.0 -47.13 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -53.7 -22.82 9.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 97' ' ' ILE . 1.9 mt -78.57 -57.37 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.555 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -54.29 -36.08 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.43 -59.74 2.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.9 -65.93 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 14' ' ' PHE . 2.3 t -41.96 -59.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.795 ' CD1' HG23 ' A' ' 63' ' ' ILE . 11.3 mm -51.16 -66.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.613 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 61.6 t80 -35.88 -64.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -45.75 -44.48 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 108' ' ' GLY . 25.0 mt -62.04 -73.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.1 m-85 -39.41 -60.28 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CE1' ' CE1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -38.69 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.628 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -149.73 76.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -141.88 -106.43 0.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' ILE . 22.3 m-85 -131.5 -30.59 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.904 HD11 HG21 ' A' ' 63' ' ' ILE . 2.0 mt -48.19 154.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -117.5 121.77 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 105' ' ' TYR . 9.1 p-10 -135.34 92.5 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -153.82 98.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 118' ' ' ILE . 1.1 m-20 -176.21 88.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.09 179.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -88.37 -163.34 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 42.86 29.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 114' ' ' ASN . 2.2 tp -80.12 171.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.638 HD11 HG22 ' A' ' 68' ' ' VAL . 6.9 mm -42.49 -69.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' CG ' ' OD2' ' A' ' 112' ' ' ASP . 2.1 ptmt -42.72 -32.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -63.52 -54.25 39.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 125' ' ' THR . . . -73.84 -62.71 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -37.78 -36.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 28.8 tt0 -81.9 -43.05 18.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -44.55 -27.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.939 HD12 HD13 ' A' ' 74' ' ' LEU . 14.6 mt -90.97 -63.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.418 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -41.24 -29.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.2 OUTLIER -83.05 -61.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -50.02 -44.25 51.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.905 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.7 tt -62.51 -28.99 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -84.63 3.71 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.47 -27.42 22.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -100.81 -19.9 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 131' ' ' ALA . 10.7 mt -51.94 -81.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 4.2 t30 80.99 82.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.87 60.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.423 0.154 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -176.69 116.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 69.47 170.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 64.61 156.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.76 -66.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' GLN . 11.7 mm -56.02 -80.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -42.52 -39.12 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -44.62 96.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 mt-30 -55.06 -33.95 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.14 -42.6 84.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.978 ' CG1' HD13 ' A' ' 96' ' ' ILE . 1.2 mp -60.03 -61.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -39.29 -58.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 4.2 m-85 -42.48 -90.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 20' ' ' THR . 0.1 OUTLIER -43.98 -36.65 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 11.9 t-20 -59.19 -38.07 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 4.1 pt20 -89.45 28.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -118.5 -65.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -132.21 156.22 46.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -58.89 -16.47 17.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.935 HG23 ' O ' ' A' ' 18' ' ' CYS . 43.6 p 42.38 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.458 ' O ' ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 80.52 -56.97 0.33 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 4.2 pt20 -95.68 -34.29 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -57.29 -47.89 80.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.493 ' HG3' HD23 ' A' ' 25' ' ' LEU . 10.6 ptt180 -43.31 -47.41 6.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' A' ' 28' ' ' ILE . 4.3 mt -64.34 -35.44 80.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.4 t0 -84.92 -7.09 59.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 40' ' ' VAL . 62.6 t80 -89.47 -58.36 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -37.99 -31.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.26 -61.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.273 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.504 ' HA ' ' HG3' ' A' ' 33' ' ' GLU . 38.0 m -46.96 -48.51 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.773 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 23.8 m -55.46 -17.04 4.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.46 31.78 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -171.14 31.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 m -118.32 -93.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -164.85 -80.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 37' ' ' PHE . 13.5 t -116.48 -151.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -104.29 -40.49 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -71.13 -5.12 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -88.95 -32.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 27' ' ' PHE . 98.7 t -57.01 147.92 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.885 ' O ' HG12 ' A' ' 42' ' ' VAL . 12.1 t0 -53.91 163.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.911 HG23 ' HB2' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 91.88 135.47 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -75.03 158.75 41.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 69.3 mt -84.12 -15.86 45.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 mt-10 -56.32 -56.33 32.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.95 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 47' ' ' ILE . 7.0 mm -48.58 -50.48 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.5 -15.54 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.609 ' CG ' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t-20 -84.36 -34.79 23.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.8 HD12 HG22 ' A' ' 100' ' ' VAL . 9.3 pt -87.46 -21.67 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 109' ' ' PHE . 5.0 mt -66.74 -21.93 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.78 29.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -109.75 -24.13 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.724 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.9 p -111.73 20.57 16.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -71.6 -55.93 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.65 132.11 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.721 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -55.85 -29.96 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 90.9 m-20 -67.97 -34.62 76.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -70.02 -46.71 64.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -56.01 -37.05 68.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 57' ' ' GLU . 7.0 mt -71.54 -57.37 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -35.47 70.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.868 ' CG2' HD21 ' A' ' 110' ' ' LEU . 28.6 mt -59.91 -44.94 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -53.64 -56.21 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -36.11 82.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -51.39 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.48 -40.96 68.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 64' ' ' THR . 37.9 t -65.24 -54.17 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 60.5 t30 -38.93 -30.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -97.04 -54.59 3.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -46.79 -50.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -51.7 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -61.43 -33.48 73.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.4 mt -61.27 -14.41 26.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.02 47.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' VAL . 1.7 m -169.94 -66.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.537 HG13 ' CG ' ' A' ' 87' ' ' PHE . 5.1 t 40.55 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.95 -104.67 1.52 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -170.77 -52.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.0 p -75.99 149.89 37.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 50.13 -162.11 0.95 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.572 1.17 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -166.1 58.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' A' ' 133' ' ' TYR . 21.3 m-85 -103.23 94.67 5.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.585 ' SD ' HG21 ' A' ' 126' ' ' ILE . 49.3 ttp -63.96 -22.46 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.009 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.16 -43.23 98.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -32.2 70.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CG ' HG13 ' A' ' 77' ' ' VAL . 24.1 t80 -90.27 23.81 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -32.37 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.6 t -64.17 -49.38 72.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.7 p -60.17 -49.87 75.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -101.24 99.66 10.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 53.1 p -86.27 -48.01 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.489 ' CG ' ' HE2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -37.75 -53.23 2.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.03 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.62 -28.74 6.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.978 HD13 ' CG1' ' A' ' 11' ' ' ILE . 9.8 mt -72.02 -66.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.565 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.3 mp -52.74 -40.92 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -48.43 -69.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -47.13 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.35 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.8 HG22 HD12 ' A' ' 50' ' ' ILE . 1.4 t -39.23 -53.6 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.498 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -55.34 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 26.1 t80 -40.41 -57.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 5.8 t80 -37.72 -64.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' TYR . 4.5 mt -49.56 -66.23 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.706 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.3 m-85 -34.41 -58.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.8 t60 -39.84 -61.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.565 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.773 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -165.63 76.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -142.94 -104.24 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 51' ' ' ILE . 5.7 m-85 -121.84 -38.12 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD21 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -50.16 136.2 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 135.88 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 113' ' ' ASN . 38.8 t0 -169.82 65.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.538 ' O ' HD13 ' A' ' 118' ' ' ILE . 71.2 m-80 44.32 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' HA ' HG21 ' A' ' 118' ' ' ILE . 1.4 p-10 -94.19 166.75 11.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.45 59.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -176.84 55.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 116' ' ' LYS . 21.3 pt20 45.43 37.93 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 113' ' ' ASN . 0.1 OUTLIER -94.01 -177.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.894 HG22 ' CD2' ' A' ' 123' ' ' TYR . 31.9 mm -41.68 -62.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -43.62 -36.64 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -69.8 -44.3 70.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 125' ' ' THR . . . -66.28 -65.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.894 ' CD2' HG22 ' A' ' 119' ' ' ILE . 2.5 m-85 -42.28 -35.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.21 -39.34 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -54.35 -28.14 40.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.432 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.585 HG21 ' SD ' ' A' ' 84' ' ' MET . 4.7 mt -92.96 -57.85 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.356 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -40.62 -29.42 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 126' ' ' ILE . 0.6 OUTLIER -87.44 -57.69 2.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 1.9 t30 -48.79 -45.35 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.009 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.8 tt -58.71 -30.88 43.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -80.62 2.18 26.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 6.2 t70 -87.33 -22.79 24.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -102.09 -25.53 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.54 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 44.6 mt -50.4 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 134' ' ' LEU . 3.3 t30 85.38 -47.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.33 81.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.475 0.178 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -165.67 -72.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 169.74 -81.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.346 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-80 -95.2 153.51 17.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.55 -68.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.7 mm -49.87 -79.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' NZ ' ' OE2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -39.83 -44.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -48.28 79.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -57.07 -37.42 71.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.633 HD11 ' SD ' ' A' ' 1' ' ' MET . 13.5 mt -56.88 -45.26 82.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.476 HG13 HD13 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.13 -56.65 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 9.2 m -42.4 -63.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . 1.9 m-85 -37.68 -89.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 1.031 ' CE1' HG21 ' A' ' 100' ' ' VAL . 1.9 m-85 -32.21 -46.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 12' ' ' SER . 6.8 t-20 -39.09 -45.09 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' PHE . 6.3 mt-30 -81.42 46.54 0.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.642 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -159.88 -76.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 42' ' ' VAL . 4.8 m -160.52 120.25 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -145.94 21.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.9 p -78.18 -165.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -115.72 -44.5 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -64.24 -52.12 60.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' OE2' ' OD2' ' A' ' 41' ' ' ASP . 23.9 mt-10 -54.45 -36.12 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 9.1 mtm-85 -59.62 -54.39 46.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 134' ' ' LEU . 3.8 mt -56.7 -32.05 65.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -79.53 -22.22 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' C ' ' N ' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -72.37 -60.87 2.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.43 -30.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.455 ' N ' ' C ' ' A' ' 27' ' ' PHE . 49.1 t -86.23 -75.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -39.47 -53.88 2.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.841 HG21 ' ND1' ' A' ' 106' ' ' HIS . 17.3 m -38.1 -56.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 29.38 5.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -170.22 62.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 p -127.1 -103.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.47 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 38' ' ' SER . 5.4 t -99.04 -18.9 17.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.618 ' O ' ' CE1' ' A' ' 107' ' ' PHE . 19.0 m-85 63.82 10.47 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.774 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -126.14 1.01 7.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.447 ' HB2' ' CG2' ' A' ' 36' ' ' THR . 1.1 m -126.54 18.61 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' N ' ' A' ' 41' ' ' ASP . 52.9 t -48.36 -96.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.589 ' N ' HG12 ' A' ' 40' ' ' VAL . 16.7 t0 -139.02 -54.29 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.642 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 7.2 p -58.8 140.29 86.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.04 147.85 34.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.792 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.529 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 22.2 mt -82.17 -31.98 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.8 mt-10 -42.96 -58.0 4.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 18.2 Cg_endo -75.04 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' HB ' ' HA ' ' A' ' 44' ' ' LEU . 15.8 mm -49.47 -49.58 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 5.3 mttm -59.29 -16.15 20.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 9.9 t-20 -78.59 -35.01 46.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.822 HG21 ' CD1' ' A' ' 14' ' ' PHE . 33.1 pt -85.82 -36.04 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.429 HD13 ' CZ ' ' A' ' 109' ' ' PHE . 9.6 mt -46.66 -24.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -88.64 36.72 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.1 tp -110.48 -35.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.618 ' CG2' HG23 ' A' ' 53' ' ' ILE . 2.1 p -104.27 23.85 12.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -73.29 -34.94 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.22 169.36 13.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.6 -51.35 5.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -58.99 -18.3 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -56.02 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -49.7 -41.23 42.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 60' ' ' GLN . 61.3 mt -63.79 -62.39 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -35.02 59.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.975 HG21 HD21 ' A' ' 110' ' ' LEU . 39.5 mt -62.76 -50.9 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.81 -58.47 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -61.73 -44.53 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -47.54 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -54.92 -45.07 74.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 119' ' ' ILE . 15.7 t -68.28 -33.32 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -61.39 -31.78 71.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 67' ' ' ALA . 0.1 OUTLIER -92.87 -36.64 12.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.677 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -65.05 -47.11 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -47.44 -24.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 71' ' ' ILE . 33.0 m -88.01 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.944 HD13 HD12 ' A' ' 126' ' ' ILE . 2.6 mt -54.56 -19.8 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.96 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.84 28.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 74' ' ' LEU . 21.7 t -74.21 159.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.48 132.76 3.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.16 -70.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 p -39.85 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.18 138.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 84' ' ' MET . 19.8 mm100 -91.54 23.95 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 0.732 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -65.39 72.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.794 ' HG3' HD13 ' A' ' 126' ' ' ILE . 1.3 tmm? -51.3 -20.49 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.915 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -48.94 -42.67 38.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 90' ' ' THR . 52.3 m -63.67 -36.13 82.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' VAL . 14.6 t80 -52.57 -37.48 58.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE1' ' SD ' ' A' ' 84' ' ' MET . 76.5 m-85 -60.04 -39.2 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.2 t -73.71 -49.84 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 86' ' ' SER . 53.3 p -49.76 -49.86 46.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 29.3 m-80 -139.04 107.81 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 96' ' ' ILE . 22.2 m -85.47 -35.07 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.0 mt-10 -46.65 -54.42 19.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 91' ' ' ASN . 18.5 Cg_endo -74.95 -43.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 88' ' ' PHE . . . -57.4 -21.15 34.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.476 HD13 HG13 ' A' ' 11' ' ' ILE . 3.5 mt -78.94 -63.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.444 HD12 HG22 ' A' ' 96' ' ' ILE . 1.2 mp -43.05 -59.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -50.32 -49.09 54.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 46.9 t -50.38 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 108.345 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 1.031 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -46.29 -36.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.66 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.4 mm -69.75 -77.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 123' ' ' TYR . 5.6 t80 -43.29 -27.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.625 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 11.8 t80 -61.98 -60.5 3.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 54' ' ' THR . 1.8 mt -56.57 -18.48 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 4.6 m-85 -90.73 -39.6 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.841 ' ND1' HG21 ' A' ' 31' ' ' THR . 0.4 OUTLIER -78.4 1.51 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.601 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CD2' ' NE2' ' A' ' 106' ' ' HIS . 2.1 m-85 -129.19 -41.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 109' ' ' PHE . . . 109.01 105.56 2.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 3.8 m-85 -176.35 -42.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.975 HD21 HG21 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -64.48 133.89 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -86.96 138.83 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -169.06 178.45 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.3 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -48.17 174.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.11 -73.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.88 -168.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.538 ' O ' ' C ' ' A' ' 118' ' ' ILE . 7.9 pt20 -135.49 -57.94 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER 29.22 -98.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.592 HG22 ' CE2' ' A' ' 123' ' ' TYR . 6.4 mm -58.91 -66.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 0.4 OUTLIER -41.09 -30.75 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -54.21 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -59.27 -70.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.592 ' CE2' HG22 ' A' ' 119' ' ' ILE . 14.0 m-30 -39.78 -31.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 9.5 mm-40 -84.6 -42.2 15.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.3 t -53.37 -22.81 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD13 ' A' ' 74' ' ' LEU . 9.5 mt -97.16 -62.43 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.47 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -45.7 -25.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 131' ' ' ALA . 34.8 t0 -90.86 -59.53 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 125' ' ' THR . 56.7 m-20 -47.42 -37.27 11.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.915 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.6 tt -67.94 -37.44 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -65.66 -11.01 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.42 -29.08 46.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.6 OUTLIER -90.54 -34.04 15.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 25' ' ' LEU . 68.0 mt -59.9 -70.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.25 95.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -98.22 36.21 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.524 0.202 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.29 -173.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' OE1' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -177.45 158.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 2.6 p30 -172.42 132.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 5.6 t-20 84.12 -152.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 5' ' ' ASN . 22.8 mm -34.14 -71.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.7 ' CD ' HD11 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -35.66 -59.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.437 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 4.0 tt0 -49.47 -52.08 31.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 1.8 mt-30 -49.99 -40.7 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.434 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 6.6 mt -66.77 -61.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.537 HD12 ' NZ ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -39.48 -62.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -38.43 -68.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.99 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 50' ' ' ILE . 9.4 m-30 -43.73 -64.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t80 -57.94 -14.64 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' SER . 1.4 t-20 -76.07 -36.88 58.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.01 -3.43 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.908 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -105.38 -81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.597 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 58.9 m -154.07 114.24 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.469 ' OG ' ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -119.68 -92.37 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' SER . 15.0 p 35.07 -152.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' GLN . 67.0 m170 -111.62 -77.92 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.641 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 23' ' ' GLU . 3.8 mm100 -36.19 -45.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -35.9 -43.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -56.58 -68.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.237 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD13 HD21 ' A' ' 134' ' ' LEU . 13.4 mt -56.17 -30.07 61.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -73.74 -26.54 60.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -70.49 -63.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.675 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.2 pt -39.37 -30.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' PHE . 25.3 m -88.05 -60.27 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.355 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 p -45.75 -47.69 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.975 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 1.9 m -76.47 54.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 174.97 -34.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -92.21 30.17 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.0 t -122.52 -102.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.91 -53.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 38' ' ' SER . 11.0 t -127.91 -158.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HB2' ' CD1' ' A' ' 107' ' ' PHE . 0.2 OUTLIER -101.56 -31.21 10.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.552 ' OG ' HD11 ' A' ' 44' ' ' LEU . 43.5 t -82.89 7.26 15.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -103.84 -25.72 12.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 52.1 t -51.95 158.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -62.12 -57.05 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.908 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.9 p -38.24 136.77 0.82 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 146.51 32.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 111.049 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD11 ' OG ' ' A' ' 38' ' ' SER . 26.3 mt -82.64 -21.47 35.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.68 -57.61 13.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.0 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 42' ' ' VAL . 15.9 mm -48.19 -42.5 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -51.91 -27.23 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -75.72 -42.7 50.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.923 HD12 HG22 ' A' ' 100' ' ' VAL . 2.1 pt -82.51 5.12 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.596 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.9 mt -99.16 -24.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -88.71 37.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.35 -28.88 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 63' ' ' ILE . 4.3 p -103.98 20.85 17.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -62.21 -56.49 18.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.5 148.79 47.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 61' ' ' ILE . 15.2 pt-20 -65.02 -49.1 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.442 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 1.4 m-20 -49.04 -34.9 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' ILE . 15.7 mm100 -66.12 -58.5 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' OE1' ' NZ ' ' A' ' 111' ' ' LYS . 40.7 mt-30 -45.16 -44.59 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 57' ' ' GLU . 3.7 mt -67.7 -63.0 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.3 mt-10 -49.68 -26.56 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.744 HG23 ' CD1' ' A' ' 101' ' ' ILE . 52.1 mt -72.32 -46.52 56.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -48.73 -52.44 23.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.395 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -43.34 80.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -52.7 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -52.47 -44.45 65.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 17.1 t -66.11 -49.0 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 68' ' ' VAL . 26.6 t30 -36.51 -39.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 73' ' ' THR . 28.7 t-20 -88.59 -59.32 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -40.57 -52.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.87 -45.09 10.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.5 m -66.87 -34.25 77.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 77' ' ' VAL . 2.3 mt -61.07 -15.19 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 m -79.6 52.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' VAL . 3.2 t -170.36 -64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.576 HG21 ' HG3' ' A' ' 84' ' ' MET . 22.4 t 39.82 80.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.62 107.61 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.5 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 80' ' ' THR . 9.7 t -138.45 68.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 160.11 177.91 33.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.48 -67.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -57.4 152.85 13.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.576 ' HG3' HG21 ' A' ' 77' ' ' VAL . 4.1 mpp? -76.03 1.19 16.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -81.25 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -23.35 62.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 3.6 t80 -87.72 47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 13.4 m-85 -153.68 -43.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.46 -40.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 19.8 p -84.28 -59.59 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.503 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.7 t-20 -80.32 89.32 5.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 96' ' ' ILE . 1.2 p -87.05 -48.66 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -37.56 -53.36 2.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.503 ' CG ' ' CG ' ' A' ' 91' ' ' ASN . 18.3 Cg_endo -74.99 -48.68 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.451 1.764 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.11 -21.36 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.6 mt -78.59 -53.34 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.7 HD11 ' CD ' ' A' ' 7' ' ' LYS . 1.3 mp -55.12 -45.14 77.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD1' ' CE2' ' A' ' 123' ' ' TYR . 5.2 t80 -62.93 -36.1 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -59.42 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.923 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -53.3 -39.09 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.744 ' CD1' HG23 ' A' ' 63' ' ' ILE . 3.4 mm -71.13 -55.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.618 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 56.0 t80 -38.82 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.06 -53.66 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.3 mt -44.97 -51.77 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.613 ' CE2' ' CG2' ' A' ' 101' ' ' ILE . 2.8 m-85 -66.05 -47.18 75.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.827 ' CD2' HG22 ' A' ' 31' ' ' THR . 0.2 OUTLIER -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.551 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.975 ' CZ ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -170.19 60.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -119.44 -107.87 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.596 ' CE1' HG21 ' A' ' 51' ' ' ILE . 6.5 m-85 -120.9 -31.95 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.652 HD11 HG21 ' A' ' 63' ' ' ILE . 3.0 mt -49.83 152.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.445 ' NZ ' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -157.07 147.41 21.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.605 ' CG ' HG21 ' A' ' 118' ' ' ILE . 40.1 t0 -167.34 75.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 112' ' ' ASP . 47.9 m-20 52.89 101.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 48.73 -168.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.97 165.71 23.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.13 39.58 30.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -137.41 -46.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.5 OUTLIER -101.06 -138.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.721 ' N ' HG23 ' A' ' 118' ' ' ILE . 7.0 mm -38.79 -58.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.0 OUTLIER -39.14 -45.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 118' ' ' ILE . 0.0 OUTLIER -58.68 -62.21 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 125' ' ' THR . . . -51.54 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.676 ' CD1' HG22 ' A' ' 119' ' ' ILE . 5.8 m-85 -42.22 -30.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -82.19 -39.94 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -50.04 -32.97 16.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.479 ' CD1' HD22 ' A' ' 74' ' ' LEU . 6.1 mt -85.47 -61.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.463 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.95 -28.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.528 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.6 m-20 -82.7 -64.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 132' ' ' ASP . 0.9 OUTLIER -49.96 -51.68 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.909 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -53.81 -20.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.575 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -90.55 22.54 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 129' ' ' ASN . 0.9 OUTLIER -89.5 -55.44 3.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -19.6 47.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 25' ' ' LEU . 31.6 mt -56.01 -82.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 66.07 79.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 40.36 60.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.477 0.18 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -175.72 138.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.343 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.77 142.81 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' ' 5' ' ' ASN . 2.5 m120 -154.78 -92.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.498 ' O ' ' C ' ' A' ' 6' ' ' ILE . 40.2 p-10 174.25 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.498 ' C ' ' O ' ' A' ' 5' ' ' ASN . 2.1 mm -31.95 -50.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' NZ ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -47.17 -63.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -48.74 -43.97 38.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.73 -41.39 81.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' C ' ' CE2' ' A' ' 14' ' ' PHE . 17.8 mt -53.23 -57.54 10.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -41.65 -55.66 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -40.24 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HG22 ' A' ' 50' ' ' ILE . 11.5 m-30 -31.82 -90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 1.01 ' CE1' HG21 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -32.67 -51.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' PHE . 3.5 t30 -39.31 -45.67 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 15.4 mt-30 -81.08 46.06 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -157.55 -74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.575 ' CB ' HG23 ' A' ' 42' ' ' VAL . 52.3 t -162.74 83.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -83.65 -69.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 19' ' ' SER . 61.9 p 37.99 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.4 m-70 -137.49 -99.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.655 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -35.01 -35.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' HIS . 31.4 mm-40 -39.4 -38.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' HD23 ' A' ' 25' ' ' LEU . 12.7 ptt-85 -54.36 -47.47 72.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.642 ' HA ' HD11 ' A' ' 28' ' ' ILE . 16.0 mt -62.3 -26.98 68.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.84 -9.1 52.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CE2' ' CE1' ' A' ' 103' ' ' PHE . 0.8 OUTLIER -89.83 -57.92 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -38.97 -30.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' N ' ' C ' ' A' ' 27' ' ' PHE . 4.8 t -90.36 -61.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -46.75 -55.72 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.959 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 106' ' ' HIS . 35.8 m -42.03 -49.53 4.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 26.92 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -159.54 45.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 t -128.78 -99.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -170.66 -54.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' PHE . 3.1 t -137.31 -169.69 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 4.4 m-85 -91.4 -46.41 8.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.777 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -62.62 -12.63 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.403 ' CB ' HG22 ' A' ' 36' ' ' THR . 3.3 m -78.78 -45.97 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.7 t -40.81 159.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 36.2 t0 -78.52 75.28 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 47' ' ' ILE . 5.4 p -175.56 135.01 0.48 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.04 148.33 34.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' A' ' 38' ' ' SER . 35.3 mt -82.31 -34.76 28.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 mt-10 -40.52 -57.34 3.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -49.13 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 42' ' ' VAL . 10.4 mm -48.62 -34.63 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -60.85 -21.01 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' PRO . 10.7 t-20 -83.2 -40.06 20.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.797 HG22 ' HB3' ' A' ' 13' ' ' PHE . 3.7 pt -76.98 -4.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.571 ' CD1' HG22 ' A' ' 47' ' ' ILE . 3.7 mt -89.69 -33.27 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -68.79 -24.57 64.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.725 HG22 ' O ' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -55.03 -23.25 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.624 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -113.99 15.71 18.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 23.3 mmtt -95.78 31.82 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -140.43 134.75 31.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ASN . 2.1 tt0 -42.34 -81.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 12.6 p-10 -38.67 -48.87 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 56' ' ' ASP . 20.8 mm-40 -51.34 -50.8 58.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 57' ' ' GLU . 4.6 mt-30 -55.19 -50.66 68.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.81 -53.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.3 mt-10 -54.57 -38.46 66.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.876 HG21 HD21 ' A' ' 110' ' ' LEU . 21.7 mt -59.36 -52.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -44.14 -60.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' N ' HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER -60.61 -47.45 86.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.3 mt -48.61 -42.12 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -62.97 -44.19 96.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.55 HG12 ' HG3' ' A' ' 72' ' ' LYS . 47.9 t -64.35 -43.96 97.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 65.4 t30 -39.68 -31.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.3 t30 -92.7 -58.46 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -44.5 -52.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HG3' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -40.07 -42.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.0 m -89.13 -33.96 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.555 HD23 HG21 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -61.93 -17.15 55.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -90.12 35.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.21 -66.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.181 HG11 ' CD2' ' A' ' 87' ' ' PHE . 0.9 OUTLIER 40.49 87.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.21 -98.49 1.23 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.04 -72.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.5 p -130.13 169.28 15.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 59.7 177.05 1.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.538 ' O ' ' CZ ' ' A' ' 87' ' ' PHE . 8.7 mm100 61.26 89.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 82' ' ' GLN . 61.3 m-85 -47.3 176.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 0.7 OUTLIER -78.94 4.37 14.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -92.77 -46.17 7.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -51.33 -44.65 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 1.181 ' CD2' HG11 ' A' ' 77' ' ' VAL . 4.3 m-30 -47.9 -38.84 17.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.58 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -60.73 -21.45 62.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -61.37 -63.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.9 p -80.85 -45.67 16.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.2 m-20 -87.35 76.98 9.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 96' ' ' ILE . 4.0 m -90.41 -50.84 5.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -47.06 -48.29 53.75 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -75.03 -46.9 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.48 -23.55 58.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.573 HG22 HD12 ' A' ' 97' ' ' ILE . 1.7 mt -71.91 -59.68 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.598 HD13 ' NZ ' ' A' ' 7' ' ' LYS . 1.4 mp -51.24 -50.65 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.71 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 1.6 t80 -58.3 -50.75 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' PHE . 43.3 t -41.38 -63.2 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 1.01 HG21 ' CE1' ' A' ' 14' ' ' PHE . 1.4 t -47.42 -58.1 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 63' ' ' ILE . 22.9 mm -42.94 -50.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CG ' ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -57.55 -53.37 58.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.994 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 107' ' ' PHE . 4.6 t80 -51.14 -63.88 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.521 HD11 HG13 ' A' ' 100' ' ' VAL . 7.5 mt -44.14 -49.0 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 2.0 m-85 -59.49 -43.68 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 0.8 OUTLIER -79.96 -2.76 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.79 ' CZ ' ' CZ ' ' A' ' 103' ' ' PHE . 1.6 m-85 -110.87 -2.07 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.81 90.71 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -161.43 -60.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG21 ' A' ' 63' ' ' ILE . 1.6 mt -58.5 151.01 21.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.58 119.64 27.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.543 ' OD2' ' CE1' ' A' ' 105' ' ' TYR . 3.4 m-20 -160.61 -174.35 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 55.4 t30 65.44 97.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -147.52 -49.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -157.04 139.07 14.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.89 -177.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 121' ' ' LYS . 1.4 pt20 -61.55 137.03 58.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -112.58 174.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.576 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 24.6 mm -40.51 -61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.0 -48.17 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.464 ' CG ' ' HB2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -49.54 -42.2 43.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.636 ' O ' HG22 ' A' ' 125' ' ' THR . . . -78.96 -63.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.729 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.6 m-85 -42.54 -34.09 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -77.62 -38.42 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.1 t -52.85 -31.46 39.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 130' ' ' ILE . 8.3 mt -86.52 -60.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -43.51 -27.63 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.522 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.0 t70 -85.44 -63.01 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 41.6 t-20 -49.58 -47.05 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -56.5 -23.05 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -85.49 6.86 25.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 29.4 t0 -76.96 -56.74 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.99 -15.69 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 131' ' ' ALA . 12.0 mt -57.82 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' GLU . 0.6 OUTLIER 67.9 89.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 135' ' ' ASN . 0.6 OUTLIER 38.37 68.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.551 0.215 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -148.51 101.01 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 49.1 tp60 -86.88 -90.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 4.9 m-20 156.1 133.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 6' ' ' ILE . 6.7 t-20 75.61 -149.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' C ' ' O ' ' A' ' 5' ' ' ASN . 6.1 mm -33.59 -69.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.739 ' HZ2' HD11 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -39.02 -60.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 4' ' ' ASN . 8.9 tp10 -45.27 -46.39 12.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.45 -38.62 90.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.93 -48.8 78.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -48.9 -62.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 11' ' ' ILE . 8.6 m -37.73 -41.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 4.2 m-30 -78.91 140.75 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' SG ' ' A' ' 99' ' ' CYS . 2.4 t80 75.99 -48.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.01 -33.66 76.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.47 5.21 40.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.72 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' OE2' ' A' ' 23' ' ' GLU . 5.4 p -50.67 174.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.23 -85.94 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -46.56 167.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -86.47 -29.17 22.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -80.55 -4.32 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -38.99 -39.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' A' ' 23' ' ' GLU . 3.2 mpt_? -68.04 -64.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' ILE . 8.8 mt -46.38 -28.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -39.93 18.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.5 t80 -57.93 -65.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.2 pt -36.18 -33.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -80.1 -73.43 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.296 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -34.52 -36.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.646 HG23 ' ND1' ' A' ' 106' ' ' HIS . 12.2 m -46.42 -44.54 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -116.85 32.12 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -172.01 73.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 t -151.93 -98.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.28 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.511 HG22 ' CB ' ' A' ' 39' ' ' SER . 4.0 t -140.27 -173.28 3.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.18 -43.46 17.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.46 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.1 t -72.8 -2.22 19.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.511 ' CB ' HG22 ' A' ' 36' ' ' THR . 1.5 m -93.09 -35.98 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -40.62 152.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -45.89 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.654 ' CG1' ' CE1' ' A' ' 103' ' ' PHE . 4.9 p -50.23 128.36 23.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.96 151.64 39.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 13.7 mt -81.45 -30.01 33.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -42.79 -57.54 4.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.99 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.819 HG21 ' CE2' ' A' ' 103' ' ' PHE . 16.3 mm -50.86 -35.94 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -64.54 -21.01 66.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -87.02 -26.15 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.689 HD12 HG22 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -88.66 -25.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 ' HA ' HD21 ' A' ' 104' ' ' LEU . 3.0 mt -60.71 -23.22 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.06 -25.26 63.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.599 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.5 tp -53.13 -32.6 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.741 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.1 p -107.96 28.58 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -55.64 20.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -92.12 -177.68 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 61' ' ' ILE . 2.3 mm-40 -80.36 -50.87 9.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.4 m120 -37.06 -33.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLU . 52.1 mm-40 -74.66 -64.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -50.56 -38.9 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.798 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.6 mp -61.26 -65.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -55.73 -36.93 67.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.887 HG21 HD11 ' A' ' 110' ' ' LEU . 63.7 mt -58.31 -52.2 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -45.79 -59.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.22 76.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -44.45 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.61 83.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 64' ' ' THR . 41.7 t -64.98 -49.63 78.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -41.14 -31.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.92 -54.54 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.592 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -46.9 -50.26 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -50.89 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.6 m -61.19 -41.25 96.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.817 HD13 HD12 ' A' ' 126' ' ' ILE . 0.6 OUTLIER -40.12 -34.27 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.97 62.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.17 -39.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' SER . 41.8 t -36.65 111.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.04 47.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.18 -67.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -103.44 55.09 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.05 -124.43 1.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -178.84 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.776 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.783 ' CE1' ' CD1' ' A' ' 133' ' ' TYR . 1.5 m-85 -108.92 159.15 17.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.1 ttp -51.07 -31.62 19.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -51.11 -55.44 17.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.9 p -48.89 -26.92 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -83.95 47.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -140.82 -43.66 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 t -45.81 -51.86 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.3 p -92.9 -42.61 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -89.35 78.38 7.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ILE . 29.8 p -90.53 -52.23 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 3.5 mt-10 -46.84 -47.56 52.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.99 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASN . . . -59.25 -19.31 44.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -77.56 -51.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.739 HD11 ' HZ2' ' A' ' 7' ' ' LYS . 1.5 mp -57.21 -39.73 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.669 ' CE1' ' CZ ' ' A' ' 123' ' ' TYR . 5.2 t80 -70.36 -35.37 73.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.583 ' SG ' ' CE1' ' A' ' 14' ' ' PHE . 7.5 t -57.43 -58.22 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.689 HG22 HD12 ' A' ' 50' ' ' ILE . 1.7 t -54.08 -48.38 64.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.872 ' CD1' HG23 ' A' ' 63' ' ' ILE . 4.0 mm -58.88 -52.54 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.727 ' CE1' ' HB2' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -34.99 -66.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.819 ' CE2' HG21 ' A' ' 47' ' ' ILE . 21.4 t80 -55.65 -60.95 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 51' ' ' ILE . 10.2 mt -34.98 -35.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.585 ' CE2' HD13 ' A' ' 110' ' ' LEU . 3.5 m-85 -90.35 -48.26 7.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.746 ' CE1' ' HB2' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -37.14 -58.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.746 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 17.2 m-85 -167.76 49.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.38 -111.19 3.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.457 ' CE1' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -129.21 -26.03 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.887 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -48.57 140.19 8.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -150.28 161.63 42.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 112' ' ' ASP . 12.4 t0 -162.21 111.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -108.75 140.81 41.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.68 -55.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.58 176.87 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 51.51 95.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 tp -120.26 168.65 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' A' ' 105' ' ' TYR . 13.5 mm -42.57 -66.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -43.52 -44.8 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -51.49 67.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.782 ' O ' HG22 ' A' ' 125' ' ' THR . . . -65.25 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.669 ' CZ ' ' CE1' ' A' ' 98' ' ' PHE . 6.3 m-85 -41.28 -32.87 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.44 -41.42 32.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 122' ' ' ALA . 2.5 t -51.16 -27.38 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.817 HD12 HD13 ' A' ' 74' ' ' LEU . 7.6 mt -92.69 -60.91 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 102' ' ' TYR . . . -38.95 -30.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -85.1 -57.73 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 33.0 t30 -51.27 -47.91 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.003 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -55.67 -31.18 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -75.93 -2.48 30.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.4 t0 -74.63 -27.26 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.783 ' CD1' ' CE1' ' A' ' 83' ' ' TYR . 5.7 m-85 -97.69 -28.29 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.582 HD21 HD13 ' A' ' 25' ' ' LEU . 33.6 mt -68.87 -64.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -91.04 49.78 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.63 36.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.53 ' HG3' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 169.87 121.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 55.23 -178.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 58.44 161.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.459 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 59.6 m-20 -136.66 -61.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 38.2 mm -56.56 -80.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' NZ ' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.61 -39.91 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' OE2' ' CB ' ' A' ' 1' ' ' MET . 5.8 tp10 -61.32 -42.15 98.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 5' ' ' ASN . 4.2 mm-40 -57.01 -35.12 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.76 -42.98 85.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.801 HG13 HD13 ' A' ' 96' ' ' ILE . 1.1 mp -50.53 -68.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.631 ' N ' HG22 ' A' ' 11' ' ' ILE . 13.4 t -41.47 -58.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.4 m-30 -45.53 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 24.6 t80 -45.56 -41.02 9.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 34.3 t-20 -58.2 -33.25 69.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.7 mm100 -73.86 -3.86 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -99.23 -73.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.87 -164.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.43 -81.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.9 p -41.51 157.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.441 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -81.53 -35.7 30.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.11 14.11 8.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.22 -41.12 71.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HD2' ' CD2' ' A' ' 88' ' ' PHE . 1.5 ptm85 -61.3 -31.46 71.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.669 ' HA ' HD11 ' A' ' 28' ' ' ILE . 6.1 mt -70.51 -40.83 73.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.56 -10.8 59.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.59 ' CE2' ' CD1' ' A' ' 103' ' ' PHE . 55.2 t80 -88.96 -61.39 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.669 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -38.48 -30.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -83.05 -69.62 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 108.297 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.612 ' HB3' HG13 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -44.4 -49.86 9.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.002 HG21 ' CG ' ' A' ' 106' ' ' HIS . 24.5 m -37.74 -30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -135.8 31.94 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -149.19 35.36 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 t -132.43 -104.36 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.39 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 38' ' ' SER . 14.7 t -113.95 -168.65 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -122.68 0.56 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.51 ' H ' HG23 ' A' ' 36' ' ' THR . 22.6 t -96.52 -5.03 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.998 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' C ' ' A' ' 40' ' ' VAL . 38.0 t -108.58 -73.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' N ' ' A' ' 41' ' ' ASP . 80.3 t 22.95 -109.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.712 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.7 t70 -151.56 32.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 17' ' ' ALA . 3.1 p -158.19 131.88 4.88 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.01 150.91 38.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' O ' ' A' ' 37' ' ' PHE . 12.7 mt -81.18 -29.23 34.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -44.2 -58.69 4.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.04 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.649 HG22 ' CD1' ' A' ' 51' ' ' ILE . 17.9 mm -46.99 -49.82 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -48.86 -26.02 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.6 t-20 -77.86 -39.14 44.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.002 HD12 HG22 ' A' ' 100' ' ' VAL . 1.3 pt -83.25 0.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.649 ' CD1' HG22 ' A' ' 47' ' ' ILE . 17.7 mt -94.55 -26.38 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 41.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 HG23 HG22 ' A' ' 54' ' ' THR . 1.0 OUTLIER -109.93 -34.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.743 HG22 ' CD1' ' A' ' 63' ' ' ILE . 2.2 p -95.17 29.49 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -67.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.29 163.76 4.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -79.46 -27.57 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 83.1 m-20 -61.04 -45.07 96.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -62.73 -54.14 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -43.96 -41.32 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.554 HG22 ' N ' ' A' ' 62' ' ' GLU . 4.9 mt -62.87 -74.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.695 ' O ' HG23 ' A' ' 66' ' ' ILE . 33.2 mt-10 -37.84 -56.53 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.862 ' CG2' HD11 ' A' ' 110' ' ' LEU . 94.1 mt -40.91 -65.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -34.71 -35.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ILE . 7.5 mttt -83.62 -48.62 10.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -50.24 -27.33 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' HA ' ' OH ' ' A' ' 123' ' ' TYR . . . -80.45 -47.34 14.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 64' ' ' THR . 33.8 t -62.57 -54.54 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -41.08 -31.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.3 m-20 -84.38 -45.12 13.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -59.83 -48.97 85.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -54.07 -26.89 29.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -88.71 -33.32 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.366 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.974 HD21 ' SD ' ' A' ' 84' ' ' MET . 2.3 mt -63.26 -12.99 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 52.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' VAL . 0.6 OUTLIER -170.14 -86.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 78' ' ' GLY . 2.5 t 55.38 168.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 77' ' ' VAL . . . -56.19 134.17 50.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.573 1.17 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.02 -53.26 6.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 p -67.3 77.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.04 98.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -169.37 88.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.07 172.9 10.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.974 ' SD ' HD21 ' A' ' 74' ' ' LEU . 6.8 tpt -56.46 -23.5 39.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.994 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -63.06 -45.76 90.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -43.36 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.15 53.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.908 ' CE2' ' HB1' ' A' ' 95' ' ' ALA . 44.0 t80 -152.66 -43.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -67.84 -39.56 83.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -59.71 -62.37 1.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.507 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 84.1 m-20 -106.25 117.31 33.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.439 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -86.71 -40.43 15.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.6 mp0 -42.15 -50.94 10.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.908 ' HB1' ' CE2' ' A' ' 88' ' ' PHE . . . -51.02 -28.33 9.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.801 HD13 HG13 ' A' ' 11' ' ' ILE . 4.8 mt -71.78 -57.46 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -55.32 -51.78 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -45.4 -64.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -41.03 -64.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.293 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 1.002 HG22 HD12 ' A' ' 50' ' ' ILE . 2.7 t -40.23 -49.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 1.036 HD11 HD11 ' A' ' 66' ' ' ILE . 9.1 mm -63.56 -56.2 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -50.81 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 m-30 -36.14 -53.78 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 65.9 mt -48.16 -53.73 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 15.6 m-85 -66.03 -48.0 72.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 1.002 ' CG ' HG21 ' A' ' 31' ' ' THR . 0.2 OUTLIER -46.58 -50.73 16.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.536 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 33.4 m-85 -79.65 -62.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.92 92.61 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -148.36 -63.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.862 HD11 ' CG2' ' A' ' 63' ' ' ILE . 1.3 mt -53.11 143.5 17.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 123.59 27.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.95 91.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -128.25 127.85 43.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 t30 175.14 141.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -82.47 55.94 3.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -159.83 168.58 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -61.28 98.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.1 OUTLIER -104.28 -171.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.666 HD11 HG22 ' A' ' 68' ' ' VAL . 14.4 mm -52.69 -74.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -40.84 -41.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -56.6 -50.16 72.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.749 ' O ' HG22 ' A' ' 125' ' ' THR . . . -70.75 -62.22 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 71' ' ' ILE . 5.0 m-85 -38.84 -48.53 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -66.65 -37.8 85.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -53.59 -28.11 30.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.447 ' C ' ' N ' ' A' ' 128' ' ' ASP . 10.1 mt -90.89 -62.33 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.89 -28.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 28.7 m-20 -83.3 -53.16 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -57.42 -46.77 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.994 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt -58.23 -21.34 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -86.68 2.86 47.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -87.48 -28.4 22.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -99.09 -12.95 20.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 131' ' ' ALA . 9.8 mt -53.28 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 61.08 74.98 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.15 52.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.976 ' HE3' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.535 0.207 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.642 ' HB3' HG21 ' A' ' 6' ' ' ILE . 1.0 OUTLIER 171.19 108.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -38.52 158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 6.1 t-20 90.51 166.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' ASN . 4.7 m120 -39.13 -31.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 2' ' ' GLU . 1.5 mp -40.49 -72.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -32.77 -68.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -45.9 -46.51 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 mt-30 -61.2 -41.71 97.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.921 HD12 ' HB2' ' A' ' 1' ' ' MET . 17.4 mt -62.57 -52.46 63.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.805 HG13 HG21 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -38.86 -52.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -54.08 -62.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' ND2' ' A' ' 49' ' ' ASN . 3.5 m-30 -39.74 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.69 ' CD2' HG23 ' A' ' 100' ' ' VAL . 34.2 t80 -45.1 -26.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 t30 -68.65 -40.25 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -71.21 -13.48 61.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . . . -80.52 -71.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' CZ ' ' A' ' 27' ' ' PHE . 2.0 t -51.45 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.81 -85.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.2 p -93.95 -162.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.71 -54.77 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.64 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.18 -43.92 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -54.33 32.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.65 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -62.92 -17.63 62.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.94 -27.39 33.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CZ ' ' HB ' ' A' ' 42' ' ' VAL . 9.5 m-30 -73.09 -64.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' CG2' ' A' ' 130' ' ' ILE . 1.3 pt -38.33 -30.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -90.37 -52.1 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.8 t -57.61 -62.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 27' ' ' PHE . 20.1 m -38.81 -60.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -36.21 61.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' SER . 2.0 mm-40 -97.88 33.59 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -154.6 83.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -27.18 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.463 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 14.7 t -95.06 -169.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.68 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -125.58 -1.17 7.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 t -99.41 -0.52 40.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.37 -13.86 21.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 41' ' ' ASP . 48.6 t -74.66 160.63 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.2 t70 -70.33 -53.73 15.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 27' ' ' PHE . 4.6 p -41.49 138.67 1.57 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.0 148.51 35.4 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD21 ' O ' ' A' ' 37' ' ' PHE . 31.5 mt -81.86 -39.59 23.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.2 mt-10 -36.36 -57.14 1.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.4 Cg_endo -74.97 -52.47 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 42' ' ' VAL . 7.9 mm -44.7 -54.82 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 51' ' ' ILE . 2.0 mttt -44.49 -26.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.582 ' ND2' ' CE2' ' A' ' 13' ' ' PHE . 23.7 t-20 -75.71 -44.79 40.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 HD12 HG22 ' A' ' 100' ' ' VAL . 2.7 pt -78.36 0.65 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 48' ' ' LYS . 46.6 mt -90.3 -31.13 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.15 46.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 54' ' ' THR . 0.4 OUTLIER -131.55 -48.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.536 HG23 ' CG2' ' A' ' 53' ' ' ILE . 18.1 p -86.44 13.12 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -62.42 -64.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.83 134.9 20.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -62.31 -28.73 69.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.28 -19.58 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -43.37 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -59.28 -35.32 73.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' O ' ' HB ' ' A' ' 64' ' ' THR . 8.8 mt -65.74 -64.25 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' OE2' ' OE2' ' A' ' 2' ' ' GLU . 11.6 pt-20 -54.12 -33.09 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.902 HG21 HD11 ' A' ' 110' ' ' LEU . 31.9 mt -63.02 -45.94 97.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.598 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -50.53 -54.18 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -35.19 79.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.441 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -62.21 -48.78 86.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' OH ' ' A' ' 123' ' ' TYR . . . -52.45 -44.15 65.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 64' ' ' THR . 29.2 t -59.99 -42.57 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -44.83 -67.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' ND2' ' H ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -58.94 -50.97 72.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 72' ' ' LYS . 1.2 mm -46.02 -68.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.604 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -40.06 -40.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 75' ' ' SER . 5.0 m -67.2 -46.82 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.435 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.958 HD13 HD12 ' A' ' 126' ' ' ILE . 3.6 mt -43.01 -27.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -68.34 64.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -169.6 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' PHE . 40.9 t -40.72 105.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.15 -133.48 11.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.16 -53.46 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -132.03 26.26 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.5 100.98 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -128.43 -70.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 0.732 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -134.56 132.83 39.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.564 ' HA ' HG11 ' A' ' 77' ' ' VAL . 4.6 mmt -105.11 -5.4 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.898 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -75.54 -43.06 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.52 -54.88 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.721 ' CD2' HG13 ' A' ' 77' ' ' VAL . 3.5 m-30 -56.48 -101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 91' ' ' ASN . 53.2 t80 46.45 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.614 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -40.1 -50.5 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.6 p -51.84 -41.12 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.468 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 31.9 p-10 -144.08 94.39 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.609 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -81.48 -44.19 17.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 5.6 mm-40 -35.42 -55.07 1.14 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.1 Cg_endo -75.0 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.788 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 92' ' ' SER . . . -49.91 -27.86 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.805 HG21 HG13 ' A' ' 11' ' ' ILE . 1.7 mt -74.02 -65.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.485 ' CD1' ' SD ' ' A' ' 1' ' ' MET . 1.4 mp -45.0 -30.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -70.34 -41.08 73.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 96' ' ' ILE . 2.3 t -70.14 -62.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.976 HG21 ' HE3' ' A' ' 1' ' ' MET . 2.2 t -44.26 -71.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.581 ' N ' HG12 ' A' ' 100' ' ' VAL . 7.1 mm -37.62 -64.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 106' ' ' HIS . 22.7 t80 -45.17 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.489 ' N ' ' CD2' ' A' ' 102' ' ' TYR . 50.1 t80 -36.21 -43.56 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 108' ' ' GLY . 33.6 mt -67.47 -76.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.77 ' CE2' HD13 ' A' ' 110' ' ' LEU . 1.4 m-85 -35.48 -61.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -38.13 -62.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 8.0 m-85 -161.82 79.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -149.44 -103.98 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CG ' HG23 ' A' ' 51' ' ' ILE . 4.0 m-85 -124.93 -38.73 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 111.038 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.902 HD11 HG21 ' A' ' 63' ' ' ILE . 1.8 mt -49.77 139.06 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 116.73 8.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -108.92 123.35 48.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -169.34 91.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -166.41 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -101.49 -49.83 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.82 172.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -111.64 26.17 10.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -48.09 -29.52 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.791 ' N ' HD13 ' A' ' 119' ' ' ILE . 1.4 mm -58.53 -29.95 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -29.85 20.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.07 57.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.663 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.55 -67.33 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.748 ' CE2' HG22 ' A' ' 119' ' ' ILE . 3.2 m-85 -42.42 -37.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -71.67 -38.87 70.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -54.47 -28.94 48.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.958 HD12 HD13 ' A' ' 74' ' ' LEU . 7.3 mt -91.77 -61.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.412 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -46.28 -25.65 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 126' ' ' ILE . 43.2 t0 -83.87 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -46.15 53.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.898 HD11 ' HB2' ' A' ' 85' ' ' ALA . 2.8 tt -60.33 -27.66 40.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 128' ' ' ASP . . . -89.88 4.91 48.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -84.37 -41.14 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 133' ' ' TYR . 0.7 OUTLIER -91.97 -1.71 57.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.557 HD21 HD13 ' A' ' 25' ' ' LEU . 8.1 mt -65.47 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.35 91.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.428 ' OE2' HD13 ' A' ' 134' ' ' LEU . 1.8 pt-20 -153.17 36.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.518 0.199 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.8 OUTLIER 64.94 75.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.526 HE21 ' N ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 163.94 171.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' N ' ' HB2' ' A' ' 8' ' ' GLU . 0.3 OUTLIER 177.06 142.34 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.523 ' O ' ' C ' ' A' ' 6' ' ' ILE . 5.4 t30 67.98 -157.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' C ' ' O ' ' A' ' 5' ' ' ASN . 4.3 mm -30.83 -66.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -37.0 -56.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 5' ' ' ASN . 42.8 tt0 -53.22 -53.38 51.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -46.81 -46.58 20.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.936 HD22 ' CD1' ' A' ' 53' ' ' ILE . 12.8 mt -61.87 -45.96 91.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.835 HG12 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -61.97 -59.94 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.523 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -29.9 -57.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CB ' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -49.27 -64.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 27.2 t80 -60.54 -24.93 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 4.8 t-20 -57.36 -37.2 72.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 3.3 pt20 -85.37 37.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -144.23 -77.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.9 OUTLIER -126.0 124.32 40.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 108.323 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.3 p -128.38 -47.17 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.435 ' OG1' ' CB ' ' A' ' 23' ' ' GLU . 77.8 p -36.88 149.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 11.0 m-70 -83.76 -61.79 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.587 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -43.43 -26.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' OG1' ' A' ' 20' ' ' THR . 12.8 tp10 -64.73 -48.86 73.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -45.98 -54.84 7.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' CD2' ' A' ' 134' ' ' LEU . 7.0 mt -58.59 -36.9 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -9.62 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -85.56 -64.2 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 HG21 ' A' ' 130' ' ' ILE . 0.3 OUTLIER -38.52 -30.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' N ' ' C ' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.42 -63.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' HB3' HG13 ' A' ' 40' ' ' VAL . 2.9 m -49.2 -56.41 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.53 HG21 ' CE2' ' A' ' 102' ' ' TYR . 3.0 m -36.96 -40.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.462 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 41.86 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -169.02 58.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -147.17 -102.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -170.64 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' OG ' ' A' ' 39' ' ' SER . 13.8 t -124.57 -145.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.653 ' N ' HG23 ' A' ' 36' ' ' THR . 3.7 m-85 -107.37 -44.26 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.583 ' HB2' HD11 ' A' ' 44' ' ' LEU . 21.2 t -76.56 0.85 18.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.996 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 36' ' ' THR . 72.9 m -87.97 -21.56 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 41' ' ' ASP . 59.7 t -60.02 -115.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.609 ' N ' HG12 ' A' ' 40' ' ' VAL . 4.7 t0 -142.09 -56.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 17' ' ' ALA . 2.8 p -54.06 134.79 58.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.501 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.96 149.81 37.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 38' ' ' SER . 8.3 mt -81.28 -32.82 33.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -41.37 -58.55 2.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -75.01 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.843 HD13 ' CD1' ' A' ' 50' ' ' ILE . 3.6 mm -45.3 -50.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.19 -26.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' PRO . 16.2 t-20 -78.24 -44.3 25.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.87 HD12 HG22 ' A' ' 100' ' ' VAL . 1.4 pt -74.8 -6.97 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' ' 109' ' ' PHE . 3.0 mt -85.1 -28.21 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -15.68 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.936 ' CD1' HD22 ' A' ' 10' ' ' LEU . 1.1 tp -53.11 -31.55 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.997 HG22 ' CD1' ' A' ' 63' ' ' ILE . 30.9 p -100.81 -89.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' N ' ' OG1' ' A' ' 54' ' ' THR . 29.4 mmmt 40.92 44.87 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.56 166.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 2.4 pm0 -83.65 -33.75 25.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -52.8 -54.86 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.459 ' CB ' ' HA ' ' A' ' 54' ' ' THR . 24.3 mm-40 -64.63 -47.1 79.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 111' ' ' LYS . 13.5 tt0 -53.02 -39.82 63.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.96 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -28.17 65.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.997 ' CD1' HG22 ' A' ' 54' ' ' THR . 44.7 mt -69.61 -43.22 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.645 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -52.7 -56.86 12.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.63 74.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -47.95 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -58.05 -43.12 86.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 119' ' ' ILE . 44.0 t -60.46 -40.13 83.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -45.52 -26.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' VAL . 7.8 m-80 -99.94 -47.65 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -53.42 -46.18 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -31.96 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 m -78.72 -33.65 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.699 HD13 HD12 ' A' ' 126' ' ' ILE . 2.0 mt -54.75 -31.35 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 98.1 p -73.61 58.49 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.509 ' O ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -170.4 -37.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.644 HG21 HD23 ' A' ' 74' ' ' LEU . 22.8 t -32.44 98.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.708 ' O ' ' HB3' ' A' ' 79' ' ' ALA . . . -134.07 -135.75 3.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 78' ' ' GLY . . . 85.12 -47.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.7 t -146.68 50.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.448 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -95.51 1.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.463 ' O ' HG12 ' A' ' 77' ' ' VAL . 3.6 mt-30 -152.35 -77.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.596 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 7.2 m-85 35.42 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.698 ' HE1' ' CZ ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -74.53 -31.27 62.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.747 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -54.0 -45.34 71.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -69.95 -22.8 63.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' A' ' 77' ' ' VAL . 2.1 t80 -90.25 44.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 84' ' ' MET . 5.4 m-85 -130.95 -41.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.9 t -46.0 -46.87 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 30.0 p -68.92 -67.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 4.5 m-20 -84.82 97.2 9.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.621 ' C ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -89.14 -44.57 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 9.0 mt-10 -42.35 -48.74 12.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.04 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -51.09 -35.35 34.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.835 HG21 HG12 ' A' ' 11' ' ' ILE . 2.7 mt -67.53 -53.29 33.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.651 HD11 ' HE2' ' A' ' 7' ' ' LYS . 1.5 mp -60.94 -43.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.698 ' CZ ' ' HE1' ' A' ' 84' ' ' MET . 1.1 m-85 -43.6 -63.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.0 t -47.69 -53.66 14.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.328 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 50' ' ' ILE . 2.0 t -50.54 -76.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.696 ' N ' HG12 ' A' ' 100' ' ' VAL . 2.9 mm -44.4 -62.32 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.762 ' CE1' ' CD2' ' A' ' 106' ' ' HIS . 92.5 t80 -31.82 -59.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.4 -47.73 80.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 22.7 mt -48.97 -34.6 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.764 ' CE2' HD13 ' A' ' 110' ' ' LEU . 8.8 m-85 -87.98 -60.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.762 ' CD2' ' CE1' ' A' ' 102' ' ' TYR . 1.1 m-70 -39.12 -58.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 51.7 m-85 -162.78 77.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -143.72 -106.54 0.55 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 55' ' ' LYS . 7.7 m-85 -127.35 -35.0 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD11 ' CG2' ' A' ' 63' ' ' ILE . 4.1 mt -48.7 156.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' NE2' ' A' ' 60' ' ' GLN . 22.7 mttt -149.53 134.45 17.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.529 ' HB3' HG21 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -170.43 102.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 171.69 123.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.65 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -89.96 -71.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.81 -171.59 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -40.71 136.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.611 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -142.06 -159.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.969 HD11 HG22 ' A' ' 68' ' ' VAL . 7.5 mm -48.92 -70.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ILE . 11.0 ttpp -38.02 -44.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -51.99 54.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -54.71 -65.15 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.733 ' CD2' HG22 ' A' ' 119' ' ' ILE . 1.7 m-85 -38.02 -49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.46 -38.22 77.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 122' ' ' ALA . 0.5 OUTLIER -52.96 -29.51 29.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.699 HD12 HD13 ' A' ' 74' ' ' LEU . 3.9 mt -92.93 -55.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.571 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -41.74 -27.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 5.4 t0 -89.27 -60.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -51.41 -35.3 38.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.836 HG21 HD12 ' A' ' 28' ' ' ILE . 1.5 tt -65.96 -23.78 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -75.57 2.08 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.6 -49.43 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.596 ' CE1' ' HA ' ' A' ' 83' ' ' TYR . 6.3 p90 -108.54 37.79 2.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.95 ' CD2' HD13 ' A' ' 25' ' ' LEU . 4.0 mt -91.17 -81.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -178.5 93.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.18 67.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.43 ' H1 ' HG21 ' A' ' 11' ' ' ILE . 2.8 tpt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.524 0.202 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -165.17 72.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.05 -161.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 2.8 m-20 -167.55 145.81 4.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 4.1 m-20 83.72 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.8 mp -36.63 -68.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.766 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -36.4 -53.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.16 -49.43 75.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -53.94 -46.6 71.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -52.68 -41.98 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 7' ' ' LYS . 1.4 mp -62.02 -64.1 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -38.02 -48.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.891 ' HB3' HG22 ' A' ' 50' ' ' ILE . 7.3 m-85 -57.02 -87.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -44.21 -29.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.55 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 5.7 t30 -59.98 -34.66 73.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.0 mm-40 -71.93 -7.42 48.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.694 ' HB1' ' CG2' ' A' ' 42' ' ' VAL . . . -98.27 -81.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.613 ' SG ' ' CE2' ' A' ' 14' ' ' PHE . 28.6 p -96.53 145.66 25.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 108.252 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 99.1 p -132.79 -45.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 5.1 p -37.22 152.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -40.75 61.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASP . 3.2 mm-40 -78.76 3.23 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.91 -26.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.17 -64.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.569 HD11 ' HB1' ' A' ' 85' ' ' ALA . 14.3 mt -54.86 -22.36 14.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 30' ' ' SER . 69.2 m-20 -85.49 -22.71 28.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.778 ' CD1' ' CZ ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -76.45 -48.04 20.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.633 HG23 ' CE2' ' A' ' 27' ' ' PHE . 4.6 pt -52.23 -31.72 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -92.48 -59.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 108.295 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 72.7 m -48.07 -50.64 27.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.556 HG21 ' HE1' ' A' ' 102' ' ' TYR . 57.6 m -63.31 -8.38 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.0 OUTLIER -138.39 31.01 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 2.8 tt0 -171.28 74.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.9 t -158.31 -104.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.34 -54.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 38' ' ' SER . 13.3 t -126.54 -163.75 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CE2' ' A' ' 107' ' ' PHE . 26.3 m-85 -99.4 -23.49 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.646 ' H ' HG23 ' A' ' 36' ' ' THR . 1.7 t -86.99 6.02 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.04 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -102.11 -33.06 9.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.065 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 41' ' ' ASP . 56.8 t -44.75 165.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.7 t70 -79.92 63.71 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.694 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 5.0 p -174.82 132.71 0.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.98 143.07 28.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' O ' ' CD ' ' A' ' 48' ' ' LYS . 38.1 mt -82.09 -15.13 54.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -58.26 -58.92 15.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.98 -43.76 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.529 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.4 mm -51.42 -40.65 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -59.79 -16.56 29.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' ND2' ' CE1' ' A' ' 13' ' ' PHE . 7.0 t30 -88.49 -33.88 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -84.53 -14.74 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 47' ' ' ILE . 11.9 mt -79.12 -23.06 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' LYS . 4.8 pt-20 -66.36 -19.14 65.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -51.04 -28.98 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 1.029 HG22 ' CD1' ' A' ' 63' ' ' ILE . 8.4 p -105.39 23.39 13.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -58.59 -57.31 13.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -78.02 154.7 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.29 -32.89 74.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.6 -33.15 69.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 85.7 mm-40 -64.87 -55.63 18.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -43.61 -48.2 7.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 64' ' ' THR . 2.5 mt -56.17 -74.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 66' ' ' ILE . 2.2 mm-40 -37.74 -57.82 0.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.029 ' CD1' HG22 ' A' ' 54' ' ' THR . 90.0 mt -40.24 -63.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.795 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -35.04 -36.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.59 -47.05 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -53.57 -25.74 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.778 ' HB1' HG21 ' A' ' 119' ' ' ILE . . . -79.33 -48.18 14.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.954 HG22 HD11 ' A' ' 119' ' ' ILE . 47.3 t -59.22 -48.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' VAL . 16.3 t-20 -39.26 -42.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' THR . 62.0 t30 -81.91 -57.5 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.642 HD12 ' HB1' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -42.94 -54.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -46.58 -43.34 17.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -68.32 -33.59 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.964 HD13 HD12 ' A' ' 126' ' ' ILE . 3.5 mt -58.43 -17.5 21.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.1 m -86.06 46.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.08 -67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.912 HG21 ' SD ' ' A' ' 84' ' ' MET . 3.8 t 41.19 85.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.08 -95.79 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.27 -65.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -159.48 161.39 35.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.29 73.87 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.29 87.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 133' ' ' TYR . 19.0 m-85 -38.46 148.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.912 ' SD ' HG21 ' A' ' 77' ' ' VAL . 17.5 mmt -73.48 -3.96 30.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.926 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -73.7 -45.01 54.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 89' ' ' SER . 32.1 t -60.64 -52.35 65.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.545 ' CD1' HG13 ' A' ' 77' ' ' VAL . 9.5 t80 -45.23 -45.13 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 84' ' ' MET . 19.1 m-85 -65.69 -25.69 67.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.4 t -76.74 -51.28 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.0 p -50.78 -44.0 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.497 ' HB3' ' CG ' ' A' ' 94' ' ' PRO . 40.5 m-80 -121.36 100.91 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.694 ' O ' HD12 ' A' ' 96' ' ' ILE . 38.4 m -87.48 -13.44 43.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER -69.0 -51.75 17.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.02 -39.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.12 -30.71 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.694 HD12 ' O ' ' A' ' 92' ' ' SER . 13.0 mt -67.48 -62.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.471 HD11 ' HD3' ' A' ' 7' ' ' LYS . 1.2 mp -46.27 -50.88 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.721 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.7 OUTLIER -65.17 -23.71 67.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.603 ' O ' ' CD2' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -60.99 -40.98 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.887 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -72.35 -36.42 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HD11 ' A' ' 66' ' ' ILE . 36.4 mm -54.38 -69.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.778 ' CZ ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -44.29 -49.97 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.673 ' N ' ' CG ' ' A' ' 102' ' ' TYR . 1.9 t80 -44.06 -65.77 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 109' ' ' PHE . 5.0 mt -44.0 -56.73 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.625 ' CE2' HD13 ' A' ' 110' ' ' LEU . 15.4 m-85 -54.84 -65.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.52 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 14.9 m80 -47.66 -43.61 26.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 37' ' ' PHE . 11.1 m-85 -86.63 24.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 39.64 73.29 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -138.36 -47.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.837 HD11 ' CG2' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -69.81 132.36 45.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -77.81 156.15 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -170.06 125.69 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.639 ' O ' HD13 ' A' ' 118' ' ' ILE . 9.5 t30 -86.14 167.93 14.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 113' ' ' ASN . 2.0 t-20 80.39 -62.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.93 60.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 118' ' ' ILE . 2.9 tttp -175.32 132.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 116' ' ' LYS . 27.3 pt20 37.54 31.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 113' ' ' ASN . 0.8 OUTLIER -89.41 -165.17 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.954 HD11 HG22 ' A' ' 68' ' ' VAL . 8.2 mm -52.27 -71.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' ILE . 0.7 OUTLIER -40.2 -34.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -70.99 -51.22 26.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.642 ' HB1' HD12 ' A' ' 71' ' ' ILE . . . -55.16 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.721 ' CD1' ' CE1' ' A' ' 98' ' ' PHE . 6.7 m-85 -41.18 -44.97 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -37.32 84.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.06 -31.98 61.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.964 HD12 HD13 ' A' ' 74' ' ' LEU . 8.9 mt -87.6 -60.51 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 131' ' ' ALA . . . -41.06 -29.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 126' ' ' ILE . 3.8 t70 -82.01 -49.61 10.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 126' ' ' ILE . 2.5 t-20 -62.47 -53.25 57.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 85' ' ' ALA . 3.9 tt -56.58 -32.69 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -73.29 -4.26 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 26.7 t70 -84.2 -36.24 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -85.6 -23.43 27.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 131' ' ' ALA . 30.5 mt -47.88 -79.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 51.83 82.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.96 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.495 0.188 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 173.06 167.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 173.11 -171.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 8' ' ' GLU . 2.0 t-20 -60.33 -163.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -108.76 -64.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mm -58.51 -70.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' HE3' HD11 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -46.81 -43.78 18.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 5.2 tp10 -60.5 -45.57 93.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -52.31 -39.18 60.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' CD2' HD13 ' A' ' 53' ' ' ILE . 10.8 mt -60.47 -58.93 6.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.701 HG13 HG21 ' A' ' 96' ' ' ILE . 0.8 OUTLIER -42.44 -57.78 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -38.43 -62.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 21.1 m-85 -55.63 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -39.77 -45.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.945 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -50.59 -44.75 57.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 8.5 pt20 -85.83 43.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.848 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -147.95 -74.21 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.1 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.04 128.49 56.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -110.59 -58.03 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' SER . 4.8 p -37.33 155.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -100.18 -58.57 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -45.09 -28.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -51.47 -34.46 35.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.44 -60.41 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.852 HD13 HD21 ' A' ' 134' ' ' LEU . 6.7 mt -53.69 -23.1 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.1 -25.58 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -70.17 -57.49 4.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.728 HD12 HG21 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -39.39 -29.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -90.25 -70.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.261 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.4 OUTLIER -38.96 -47.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.811 HG21 ' ND1' ' A' ' 106' ' ' HIS . 14.7 m -36.19 -46.04 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.414 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -116.0 40.66 2.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -156.38 46.71 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 t -127.23 -106.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.85 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.586 ' C ' ' CG ' ' A' ' 37' ' ' PHE . 11.1 t -112.67 -19.15 12.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' CB ' ' CD2' ' A' ' 107' ' ' PHE . 1.0 OUTLIER 78.33 -40.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 36' ' ' THR . 1.4 t -66.37 -9.32 32.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -21.6 23.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.2 t -45.56 158.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.971 ' O ' HG12 ' A' ' 42' ' ' VAL . 26.0 t0 -49.03 154.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.971 HG12 ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 95.74 134.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.2 Cg_endo -75.0 148.57 35.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.769 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.83 -12.85 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -59.93 -56.6 34.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.95 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.537 ' CD1' HD11 ' A' ' 50' ' ' ILE . 7.7 mm -43.18 -54.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -27.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.577 ' ND2' ' CZ ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.14 -42.68 59.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.885 HD12 HG22 ' A' ' 100' ' ' VAL . 2.5 pt -83.59 8.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.595 HG21 ' CE1' ' A' ' 109' ' ' PHE . 1.8 mt -100.67 -25.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.27 13.61 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 10' ' ' LEU . 1.1 tp -93.79 -19.77 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.491 HG21 HD13 ' A' ' 104' ' ' LEU . 2.4 p -115.1 22.42 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -72.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.98 147.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -67.86 -29.93 69.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 18.1 m120 -66.17 -33.14 75.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -72.5 -57.26 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -46.57 -42.7 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 37.7 mt -64.09 -72.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' HD12 ' A' ' 66' ' ' ILE . 1.1 tt0 -46.19 -25.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.866 HG21 HD11 ' A' ' 110' ' ' LEU . 34.6 mt -77.19 -43.23 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -50.85 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -36.53 72.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.6 mt -60.09 -42.2 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB1' ' CZ ' ' A' ' 123' ' ' TYR . . . -57.78 -42.44 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 119' ' ' ILE . 45.8 t -59.63 -38.93 78.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -50.77 -22.69 2.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -93.2 -40.41 10.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -66.88 -51.58 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.173 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -55.43 -45.83 76.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.1 m -66.29 -37.39 85.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.903 HD21 ' HG3' ' A' ' 84' ' ' MET . 2.1 mt -50.2 -33.19 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.21 61.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' VAL . 22.9 t -170.0 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.556 HG21 HD23 ' A' ' 74' ' ' LEU . 20.8 t -37.97 129.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.21 -161.24 52.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.89 -51.61 5.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 p -127.48 51.26 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 45.21 76.05 0.14 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.52 -89.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.503 ' CD1' ' CD2' ' A' ' 133' ' ' TYR . 0.9 OUTLIER -112.89 134.76 54.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.903 ' HG3' HD21 ' A' ' 74' ' ' LEU . 47.6 ttp -77.35 -23.76 50.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ALA . 29.1 t -36.68 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 89' ' ' SER . 7.5 t80 -84.14 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASN . 3.7 m-30 50.28 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -38.31 -45.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 87' ' ' PHE . 70.2 p -61.61 -47.71 84.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.424 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.535 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 10.7 t-20 -132.91 99.18 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' ILE . 0.2 OUTLIER -82.0 -38.73 24.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.632 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 6.4 mm-40 -38.17 -52.34 3.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.96 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 88' ' ' PHE . . . -51.51 -24.66 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.701 HG21 HG13 ' A' ' 11' ' ' ILE . 13.9 mt -75.79 -58.44 4.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.528 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -56.91 -41.27 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.623 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 9.6 m-30 -62.98 -60.56 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.448 ' SG ' ' NH1' ' A' ' 24' ' ' ARG . 4.8 m -41.5 -57.36 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.885 HG22 HD12 ' A' ' 50' ' ' ILE . 1.6 t -45.89 -44.86 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.537 ' CG2' ' CE2' ' A' ' 105' ' ' TYR . 2.6 mm -65.9 -43.47 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.816 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 8.1 m-85 -64.18 -56.53 14.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 103' ' ' PHE . 1.5 t80 -48.71 -38.82 22.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 100' ' ' VAL . 12.9 mt -68.66 -75.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CE1' ' OD2' ' A' ' 112' ' ' ASP . 4.2 m-85 -36.49 -41.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.811 ' ND1' HG21 ' A' ' 31' ' ' THR . 42.6 m170 -56.47 -51.39 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.614 ' CD2' ' CB ' ' A' ' 37' ' ' PHE . 30.2 p90 -170.49 67.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' LEU . . . -135.37 -108.64 0.97 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CE1' HG21 ' A' ' 51' ' ' ILE . 10.0 m-85 -129.74 -37.73 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.866 HD11 HG21 ' A' ' 63' ' ' ILE . 2.5 mt -48.18 149.76 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.72 150.46 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.662 ' OD2' ' CE1' ' A' ' 105' ' ' TYR . 2.0 m-20 -148.87 67.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 59.14 -173.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -170.16 95.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -114.15 -172.01 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.33 128.56 37.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.2 OUTLIER -141.31 -159.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.597 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.5 mm -64.73 -73.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.483 ' HG2' ' CG2' ' A' ' 118' ' ' ILE . 12.7 ptmm? -37.13 -33.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.99 -62.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 125' ' ' THR . . . -54.6 -61.54 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.816 ' CD2' ' CD1' ' A' ' 102' ' ' TYR . 2.6 m-85 -36.46 -43.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.68 -42.86 60.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -44.47 -29.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.793 ' CD1' HD13 ' A' ' 74' ' ' LEU . 19.1 mt -93.51 -63.48 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.462 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -40.04 -29.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.565 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 0.7 OUTLIER -88.1 -58.13 2.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -48.82 -45.76 40.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 85' ' ' ALA . 8.3 tt -56.52 -28.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -74.14 -2.96 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -86.81 -26.1 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -95.88 -24.48 16.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.852 HD21 HD13 ' A' ' 25' ' ' LEU . 44.8 mt -64.84 -69.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -146.8 -59.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 71.18 83.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.47 0.176 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.43 -79.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 49.05 50.49 17.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 6.8 p-10 -100.91 -177.38 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 1.2 m-20 162.86 -165.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 2.4 mm -50.38 -43.74 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -59.96 -40.68 89.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.98 -29.59 69.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.857 ' HG3' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -70.87 -25.33 62.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.857 HD23 ' HG3' ' A' ' 9' ' ' GLN . 9.1 mt -73.32 -44.93 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 1.6 mp -60.36 -66.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -36.31 -49.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.977 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.931 ' HB3' HG22 ' A' ' 50' ' ' ILE . 1.5 m-85 -57.44 -89.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -42.28 -36.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.636 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 7.0 t-20 -52.54 -36.78 56.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.8 mt-30 -71.08 -4.94 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.721 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -107.68 -77.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -129.54 97.45 4.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' THR . 86.4 p -100.93 -56.97 2.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' SER . 2.5 p -38.54 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.6 m170 -71.77 -64.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -38.62 -45.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -47.87 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CZ ' ' SG ' ' A' ' 99' ' ' CYS . 0.6 OUTLIER -50.56 -63.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HA ' HD11 ' A' ' 28' ' ' ILE . 15.7 mt -54.42 -20.2 7.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.17 -28.9 48.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ILE . 72.5 t80 -74.61 -65.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 25' ' ' LEU . 4.7 pt -34.85 -36.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' PHE . 6.6 t -80.17 -59.55 2.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' THR . 26.0 p -44.26 -54.71 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.963 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.772 HG23 ' CD2' ' A' ' 106' ' ' HIS . 14.6 m -36.31 -45.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.95 31.53 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 1.2 tt0 -169.22 37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -112.27 -93.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -169.88 -53.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 38' ' ' SER . 15.2 t -121.02 -156.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 5.1 m-85 -133.39 5.92 3.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.974 ' O ' HD11 ' A' ' 44' ' ' LEU . 1.1 t -137.44 25.07 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.596 ' HB2' HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -148.75 18.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 41.9 t -58.46 164.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 28.5 t70 -39.2 -55.71 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.721 HG22 ' HB1' ' A' ' 17' ' ' ALA . 5.1 p -59.0 132.9 87.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -74.99 148.82 35.87 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.974 HD11 ' O ' ' A' ' 38' ' ' SER . 26.5 mt -82.19 -33.36 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -41.35 -58.28 3.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.03 -50.22 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.702 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 9.1 mm -46.19 -54.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.83 -24.0 0.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 4.8 t-20 -77.28 -42.97 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.931 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -72.46 -29.71 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.64 HG21 ' CE1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -54.77 -26.62 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.89 -11.64 29.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.828 HG23 HG23 ' A' ' 54' ' ' THR . 2.5 tp -63.39 -40.09 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.828 HG23 HG23 ' A' ' 53' ' ' ILE . 11.5 p -105.1 22.85 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -49.88 -52.56 31.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.57 167.95 12.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -51.02 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' GLN . 26.2 p30 -49.42 -25.62 2.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.68 -51.71 38.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -49.02 -45.1 42.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -63.38 -63.39 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -26.52 16.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.848 ' CG2' HD11 ' A' ' 110' ' ' LEU . 19.2 mt -68.27 -49.67 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -48.82 -54.51 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -39.01 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.471 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 1.3 mt -58.11 -45.99 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.546 ' CB ' HG21 ' A' ' 119' ' ' ILE . . . -53.95 -47.81 70.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 64' ' ' THR . 36.4 t -53.29 -50.57 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 59.4 t30 -36.52 -54.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.584 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -80.4 -56.59 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.966 HD11 ' CD1' ' A' ' 123' ' ' TYR . 1.4 mm -38.8 -62.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -44.46 -43.08 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ASN . 34.6 m -70.02 -34.58 73.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' CD1' ' A' ' 126' ' ' ILE . 1.4 mt -53.38 -20.24 4.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 42.33 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.0 32.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' CD2' ' A' ' 87' ' ' PHE . 82.7 t -88.88 110.12 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.61 153.12 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.42 -70.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -72.39 95.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.52 -140.0 14.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 83' ' ' TYR . 2.2 mt-30 -173.56 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.796 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 18.1 m-30 32.91 84.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 ttp -53.45 -36.37 61.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.956 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -45.01 -45.31 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -40.38 95.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.915 ' CD2' HG13 ' A' ' 77' ' ' VAL . 2.4 t80 -80.62 50.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 2.2 t80 -140.36 -43.53 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.72 -51.48 21.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -81.36 -36.78 29.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 m-20 -108.82 77.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 96' ' ' ILE . 58.6 p -90.65 -51.55 5.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.561 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -47.15 -47.62 55.51 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -74.98 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -58.01 -18.21 22.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 97' ' ' ILE . 2.9 mt -78.26 -66.98 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.537 HD12 HG22 ' A' ' 96' ' ' ILE . 1.4 mp -39.55 -42.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 70' ' ' ASN . 5.4 m-30 -68.96 -45.33 70.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.501 ' SG ' ' CZ ' ' A' ' 24' ' ' ARG . 1.8 t -46.99 -55.06 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.737 HG22 HD12 ' A' ' 50' ' ' ILE . 1.3 t -50.33 -52.31 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.615 HG21 ' OH ' ' A' ' 123' ' ' TYR . 11.8 mm -49.58 -65.85 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.529 ' CE2' HG22 ' A' ' 28' ' ' ILE . 8.5 t80 -39.44 -45.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.702 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -62.78 -65.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.598 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 11.4 mt -39.28 -30.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.906 ' CE2' HD13 ' A' ' 110' ' ' LEU . 4.9 m-85 -83.9 -46.32 12.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.772 ' CD2' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -39.72 -61.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.648 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 106' ' ' HIS . 27.0 m-85 -165.84 35.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -94.86 -106.77 2.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 51' ' ' ILE . 8.7 m-85 -125.03 -34.64 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.906 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.9 mt -48.5 137.59 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -106.09 133.73 50.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.539 ' HB2' ' CD1' ' A' ' 105' ' ' TYR . 0.2 OUTLIER -157.54 92.16 1.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 113' ' ' ASN . 5.8 p-10 168.84 73.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -173.85 -66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -122.69 -67.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -97.05 67.36 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.414 ' C ' ' N ' ' A' ' 119' ' ' ILE . 14.7 pt20 -101.42 -10.38 20.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.85 -24.49 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.865 HG22 ' CE2' ' A' ' 123' ' ' TYR . 1.3 mm -60.72 -28.29 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -29.28 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -74.79 -28.75 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 125' ' ' THR . . . -79.33 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.966 ' CD1' HD11 ' A' ' 71' ' ' ILE . 7.8 m-85 -41.97 -36.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -72.9 -39.7 66.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -55.32 -27.09 44.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.86 ' CD1' HD22 ' A' ' 74' ' ' LEU . 9.0 mt -94.01 -59.81 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.432 ' C ' HG22 ' A' ' 130' ' ' ILE . . . -44.52 -26.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' ALA . 24.8 t0 -86.89 -62.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -48.71 -45.36 39.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.956 HD11 ' HB2' ' A' ' 85' ' ' ALA . 6.1 tt -59.61 -28.0 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -87.01 2.22 50.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -85.22 -46.61 10.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 1.3 p90 -88.57 3.29 50.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 131' ' ' ALA . 4.6 mt -60.21 -85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.0 t30 178.14 70.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 49.8 61.52 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.505 0.193 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -156.79 85.68 0.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.433 ' HG2' HD13 ' A' ' 11' ' ' ILE . 3.4 mp0 53.02 172.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 37.1 p-10 -178.23 137.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 7.7 t-20 83.73 -153.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 7' ' ' LYS . 26.6 mm -38.27 -66.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -36.92 -51.24 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.49 ' HB2' ' CA ' ' A' ' 4' ' ' ASN . 1.2 tt0 -62.01 -51.55 67.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -44.49 -39.85 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 HD21 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -64.07 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.541 HD11 ' CE ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -39.56 -61.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -39.13 -76.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB2' HG22 ' A' ' 50' ' ' ILE . 19.5 m-30 -36.87 -67.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.05 -40.95 24.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.77 -43.93 90.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -85.64 45.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . . . -153.77 -77.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.1 t -106.25 109.85 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.244 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -102.62 -48.81 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' SER . 39.9 p -36.01 154.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.469 ' CD2' HH21 ' A' ' 24' ' ' ARG . 3.0 m80 -97.68 -83.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' HIS . 58.0 mt-30 -36.37 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -40.26 -50.18 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.594 ' CZ ' ' CZ ' ' A' ' 88' ' ' PHE . 7.3 mtm-85 -44.79 -64.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.713 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.5 mt -48.5 -23.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -82.15 -38.5 24.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.276 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 28' ' ' ILE . 7.3 m-30 -59.54 -61.91 2.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 25' ' ' LEU . 1.9 pt -35.08 -35.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 27' ' ' PHE . 5.3 t -90.62 -73.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -37.12 -33.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 106' ' ' HIS . 23.8 m -77.75 47.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.66 22.69 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 35' ' ' ASP . 90.0 p -117.55 -101.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' N ' ' OG ' ' A' ' 34' ' ' SER . 1.3 t0 -171.05 -51.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.732 HG23 ' N ' ' A' ' 37' ' ' PHE . 8.3 t -127.04 -145.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.732 ' N ' HG23 ' A' ' 36' ' ' THR . 2.2 m-85 -118.67 -40.66 2.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.96 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.62 -9.08 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -88.23 -25.18 23.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 88.1 t -67.14 -110.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.896 ' O ' HG12 ' A' ' 42' ' ' VAL . 7.6 t0 -144.26 -156.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 41' ' ' ASP . 4.2 p 56.01 138.38 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.3 Cg_endo -75.02 146.45 32.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.96 HD11 ' HB3' ' A' ' 38' ' ' SER . 19.2 mt -82.9 -14.33 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.84 -58.25 20.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.3 Cg_endo -74.94 -43.51 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 HG21 ' A' ' 42' ' ' VAL . 11.6 mm -49.22 -48.52 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.96 -21.03 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 46' ' ' PRO . 5.0 t-20 -79.11 -41.64 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.857 HD12 HG22 ' A' ' 100' ' ' VAL . 5.3 pt -82.55 1.89 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.866 HD11 ' HA2' ' A' ' 108' ' ' GLY . 1.9 mt -97.05 -21.39 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -83.92 37.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.468 HD13 HD21 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -116.2 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.831 HG22 ' CD1' ' A' ' 63' ' ' ILE . 3.0 p -96.77 -0.72 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -54.09 -52.52 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' GLN . 7.9 m-20 -56.84 168.47 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -84.34 -51.29 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 1.7 m-20 -56.77 -31.0 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 14.2 mm-40 -62.54 -65.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -39.51 -43.41 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.5 -51.04 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' HD12 ' A' ' 66' ' ' ILE . 2.5 mt-10 -56.73 -28.77 61.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.831 ' CD1' HG22 ' A' ' 54' ' ' THR . 75.1 mt -74.92 -43.54 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -46.83 -59.41 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.457 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -54.88 -55.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -50.48 -42.56 54.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 64' ' ' THR . 15.5 t -66.67 -32.83 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -66.58 -33.02 74.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -89.61 -17.03 29.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 123' ' ' TYR . 0.4 OUTLIER -88.33 -51.63 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 71' ' ' ILE . 24.9 pttt -46.97 -27.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 m -83.82 -36.06 23.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mt -60.08 -22.22 62.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -1.2 23.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 80.7 p -144.24 60.22 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 74' ' ' LEU . 56.7 t -94.57 115.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.35 -154.12 16.63 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -151.92 -46.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -109.95 78.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.84 118.34 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 174.44 82.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -63.8 163.2 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.482 ' CE ' ' CG2' ' A' ' 126' ' ' ILE . 7.0 tmm? -59.02 -15.91 15.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.95 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -70.0 -53.04 19.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 90' ' ' THR . 0.4 OUTLIER -63.4 -13.18 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -88.97 39.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 1.034 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 8.3 t80 -138.34 -46.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.1 t -61.4 -29.52 69.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 31.3 p -64.06 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.472 ' C ' ' HD2' ' A' ' 94' ' ' PRO . 3.4 m120 -119.47 123.89 45.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.944 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -84.11 -43.87 14.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.958 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.6 OUTLIER -37.17 -53.16 2.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' C ' ' A' ' 91' ' ' ASN . 18.2 Cg_endo -74.98 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.536 1.808 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.034 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -49.53 -25.19 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 92' ' ' SER . 1.1 mp -78.34 -59.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.691 HD12 HG22 ' A' ' 96' ' ' ILE . 1.5 mp -59.52 -26.29 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.805 ' CE2' ' CE1' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -64.43 -60.6 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.273 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.857 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -40.25 -50.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.761 ' CD1' HG23 ' A' ' 63' ' ' ILE . 10.8 mm -61.84 -64.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.809 ' CE1' ' CD1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -37.02 -59.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.594 ' O ' ' C ' ' A' ' 104' ' ' LEU . 15.7 m-85 -59.04 -62.25 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 103' ' ' PHE . 1.8 mt -23.61 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 110' ' ' LEU . 35.3 m-85 -62.26 -65.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 31' ' ' THR . 40.9 m170 -100.75 49.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.54 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.617 ' HE2' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -172.8 -61.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.866 ' HA2' HD11 ' A' ' 51' ' ' ILE . . . -84.05 -106.43 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 69.1 m-85 -165.52 67.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.6 mt -100.02 138.5 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.76 121.4 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.705 ' O ' HG21 ' A' ' 118' ' ' ILE . 19.6 t0 -170.45 58.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -145.55 96.3 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -157.23 33.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -171.96 149.33 2.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -54.14 129.14 33.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.47 ' HG2' ' CE ' ' A' ' 121' ' ' LYS . 2.0 mt-30 54.24 100.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.705 HG21 ' O ' ' A' ' 112' ' ' ASP . 0.3 OUTLIER -122.49 -172.2 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.695 HG22 ' CD2' ' A' ' 123' ' ' TYR . 7.1 mm -45.19 -64.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 119' ' ' ILE . 1.6 ttpt -35.44 -40.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.47 ' CE ' ' HG2' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -56.9 -59.13 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 125' ' ' THR . . . -53.53 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.809 ' CD1' ' CE1' ' A' ' 102' ' ' TYR . 6.6 m-30 -45.62 -25.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.93 -35.86 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -67.8 -19.52 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.352 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.482 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 2.2 mt -97.09 -54.28 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.451 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -51.04 -25.91 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 131' ' ' ALA . 15.0 t0 -90.73 -59.33 2.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -50.08 -38.5 38.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.95 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.2 tt -66.05 -27.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -83.28 5.62 22.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.73 -25.09 21.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 0.1 OUTLIER -101.28 -11.71 19.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 131' ' ' ALA . 8.2 mt -57.11 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.55 85.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.4 65.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.92 162.43 13.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 172.77 41.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.2 -166.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -123.79 -76.52 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm -60.63 -67.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HD3' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -47.69 -44.04 27.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.24 -47.12 87.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -50.39 -38.04 40.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -63.47 -47.03 83.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.636 HG13 HG21 ' A' ' 96' ' ' ILE . 1.0 OUTLIER -53.71 -60.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -36.49 -58.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HB3' HG22 ' A' ' 50' ' ' ILE . 10.5 m-85 -51.11 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.496 ' CZ ' ' O ' ' A' ' 18' ' ' CYS . 51.8 t80 -39.13 -48.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -41.11 -39.94 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' PHE . 4.2 mm-40 -85.31 43.02 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' HB1' HG22 ' A' ' 42' ' ' VAL . . . -153.69 -70.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' CB ' HG23 ' A' ' 42' ' ' VAL . 11.9 t -144.32 92.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.05 -20.28 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 p -43.59 161.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.436 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 12.2 m-70 -100.05 -69.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -42.03 -34.64 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -49.24 -36.3 19.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 21' ' ' HIS . 32.6 mtt85 -56.77 -47.26 80.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HA ' HD11 ' A' ' 28' ' ' ILE . 5.8 mt -64.7 -28.61 69.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 -15.05 40.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 1.4 t80 -83.23 -58.89 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.633 ' HB ' ' HB1' ' A' ' 127' ' ' ALA . 0.7 OUTLIER -39.84 -29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 27' ' ' PHE . 34.7 t -85.59 -70.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 108.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -42.05 -43.76 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.591 ' OG1' ' CE1' ' A' ' 27' ' ' PHE . 21.0 m -48.38 -38.84 20.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -95.75 24.82 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' SER . 20.2 mm-40 -144.65 56.98 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -170.09 90.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -24.14 66.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.533 ' O ' ' CD2' ' A' ' 37' ' ' PHE . 1.1 t -89.04 -23.04 22.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 36' ' ' THR . 2.8 m-85 76.51 -47.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.645 ' HB3' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -58.08 -16.46 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -25.72 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.612 HG21 ' CE1' ' A' ' 107' ' ' PHE . 74.7 t -55.33 153.93 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.872 ' O ' HG12 ' A' ' 42' ' ' VAL . 4.7 t70 -59.57 -165.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 41' ' ' ASP . 5.3 p 55.28 141.36 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.02 149.41 36.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 38' ' ' SER . 38.0 mt -82.21 -41.23 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 mt-10 -35.04 -56.63 0.88 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' CG ' ' HG2' ' A' ' 43' ' ' PRO . 18.4 Cg_endo -74.97 -51.54 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 20.5 mm -49.49 -37.22 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.7 mtmt -60.57 -16.0 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.3 t-20 -87.79 -40.12 14.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.962 HD12 HG22 ' A' ' 100' ' ' VAL . 3.3 pt -80.45 -0.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 48' ' ' LYS . 19.7 mt -89.12 -23.8 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -12.46 60.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ILE . 1.2 tp -58.07 -35.29 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.638 HG22 ' CD1' ' A' ' 63' ' ' ILE . 7.1 p -100.51 20.57 14.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -67.7 -47.74 68.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -76.55 154.82 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.706 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.1 pm0 -75.13 -27.24 59.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -72.4 -15.88 61.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.08 -58.05 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 61' ' ' ILE . 14.3 pt20 -47.73 -42.56 25.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 57' ' ' GLU . 19.0 mt -59.7 -75.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -41.32 -30.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 101' ' ' ILE . 41.5 mt -72.19 -49.42 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.9 OUTLIER -44.12 -62.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.38 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -43.76 88.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -52.24 -47.64 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.14 -43.48 78.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 64' ' ' THR . 17.8 t -68.87 -39.26 79.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -41.57 -31.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -99.62 -48.86 4.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 ' CE1' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -46.72 -49.32 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -56.54 -33.73 66.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ASN . 26.9 m -80.17 -32.93 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.755 HD23 HG21 ' A' ' 77' ' ' VAL . 2.6 mt -59.31 -16.92 24.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.04 37.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.17 31.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.755 HG21 HD23 ' A' ' 74' ' ' LEU . 42.2 t -86.91 81.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 79' ' ' ALA . . . -55.85 -168.99 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 78' ' ' GLY . . . 89.87 127.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 80' ' ' THR . 82.0 p -41.52 100.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.39 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.74 152.8 17.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -112.36 54.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 133' ' ' TYR . 13.2 m-85 -87.23 81.32 7.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.6 ' SD ' HG21 ' A' ' 126' ' ' ILE . 2.3 ttt -38.37 -33.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.94 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -44.18 -41.78 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -59.41 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 1.5 t80 -75.0 54.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 95' ' ' ALA . 1.5 m-85 -155.06 -45.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -43.38 98.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 91' ' ' ASN . 29.8 p -62.58 -62.41 1.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.437 ' N ' ' OG1' ' A' ' 90' ' ' THR . 2.5 m-80 -94.23 99.36 11.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' HD12 ' A' ' 96' ' ' ILE . 39.2 p -85.74 -41.03 15.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -44.16 -55.83 8.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 88' ' ' PHE . . . -54.25 -20.37 6.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 11' ' ' ILE . 4.4 mt -78.93 -63.78 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.483 HD11 HD12 ' A' ' 11' ' ' ILE . 1.2 mp -46.08 -42.03 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -64.13 -42.67 96.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.422 ' HG ' ' HZ ' ' A' ' 14' ' ' PHE . 44.0 t -49.19 -38.28 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.962 HG22 HD12 ' A' ' 50' ' ' ILE . 2.1 t -67.84 -44.73 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.742 ' CD1' HG23 ' A' ' 63' ' ' ILE . 5.7 mm -58.84 -55.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.649 ' CD1' ' CD2' ' A' ' 123' ' ' TYR . 0.9 OUTLIER -48.72 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.78 -40.69 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.73 -70.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.801 ' CE2' HD13 ' A' ' 110' ' ' LEU . 12.1 m-85 -50.24 -59.71 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 5.9 m-70 -40.11 -64.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.57 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 40' ' ' VAL . 5.0 m-30 -50.97 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 153.69 59.18 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -127.06 -52.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 0.799 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.801 HD13 ' CE2' ' A' ' 105' ' ' TYR . 1.4 mt -62.76 144.38 56.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -119.66 163.57 17.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -170.38 34.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m120 47.94 -173.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.05 160.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.19 -41.95 2.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.17 179.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.41 ' HB2' ' CG ' ' A' ' 121' ' ' LYS . 1.8 pt20 -39.82 136.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.8 OUTLIER -144.54 -170.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 123' ' ' TYR . 23.8 mm -40.24 -52.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -45.79 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 118' ' ' ILE . 9.7 tmtt? -53.56 -54.17 41.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 125' ' ' THR . . . -64.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.707 ' CE1' HD13 ' A' ' 71' ' ' ILE . 3.9 m-85 -39.94 -39.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -39.21 47.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -49.55 -29.65 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 74' ' ' LEU . 13.8 mt -89.91 -64.13 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB2' ' HE2' ' A' ' 102' ' ' TYR . . . -40.6 -29.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.455 ' N ' ' C ' ' A' ' 126' ' ' ILE . 25.8 t70 -86.17 -51.32 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 7.9 m-20 -55.87 -47.55 77.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.94 HD11 ' HB2' ' A' ' 85' ' ' ALA . 5.4 tt -58.39 -40.04 76.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.53 -7.59 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 5.6 t70 -79.31 -19.41 50.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.493 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -104.47 -41.06 5.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.545 HD21 HD13 ' A' ' 25' ' ' LEU . 65.1 mt -48.28 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.4 t30 65.07 90.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -172.07 73.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.986 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.532 0.206 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -174.74 171.88 3.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 72.66 119.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 58.95 166.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -144.14 -65.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' GLN . 36.0 mm -56.35 -77.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -43.14 -41.99 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -43.17 98.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 mt-30 -59.0 -33.32 70.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.08 -44.81 83.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.619 HG13 HG21 ' A' ' 96' ' ' ILE . 1.3 mp -57.44 -69.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.469 ' N ' HG22 ' A' ' 11' ' ' ILE . 2.3 m -39.25 -58.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.947 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.699 ' HB3' HG22 ' A' ' 50' ' ' ILE . 6.3 m-30 -45.82 -89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -41.48 -44.56 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.605 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 16.8 t-20 -48.62 -41.1 29.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 mm-40 -85.17 46.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . . . -152.52 -70.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' SER . 25.3 p -63.65 -141.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.428 ' CA ' ' HB2' ' A' ' 23' ' ' GLU . 3.5 m -164.65 71.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.8 p 47.99 -176.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 89' ' ' SER . 6.9 m80 -42.37 -51.92 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.601 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' HIS . 19.6 mt-30 -34.17 -50.69 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.507 ' NH2' ' CE1' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -46.53 -55.8 6.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' ILE . 12.0 mt -60.77 -25.05 66.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 m-20 -88.91 -10.39 48.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.578 ' CE1' ' OG1' ' A' ' 31' ' ' THR . 40.8 t80 -89.33 -57.72 2.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -40.66 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ARG . 42.5 t -85.64 -70.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.262 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -42.67 -57.42 2.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.726 HG22 ' CD2' ' A' ' 106' ' ' HIS . 87.7 m -49.47 -32.1 11.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' CYS . 14.4 tpt180 -83.0 -24.15 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 30' ' ' SER . 3.7 pt-20 -116.11 42.89 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.5 p -155.17 84.6 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.63 -34.85 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.743 HG23 ' N ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -88.9 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.743 ' N ' HG23 ' A' ' 36' ' ' THR . 11.3 m-85 -120.26 -39.53 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.746 ' CA ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -63.79 -11.56 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 36' ' ' THR . 33.3 m -78.68 -34.11 46.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.739 HG21 ' CZ ' ' A' ' 107' ' ' PHE . 85.8 t -57.85 148.54 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -54.3 48.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 40' ' ' VAL . 8.3 p -46.37 138.44 6.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HG2' ' CG ' ' A' ' 46' ' ' PRO . 18.1 Cg_endo -75.03 143.01 28.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' CA ' ' A' ' 38' ' ' SER . 8.8 mt -81.72 -10.78 59.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 3.0 mm-40 -62.44 -60.2 10.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -74.99 -41.16 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.678 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 16.7 mm -52.72 -40.21 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -63.11 -12.79 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.05 -32.58 16.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.786 HD12 HG22 ' A' ' 100' ' ' VAL . 5.1 pt -88.48 -12.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.0 mt -73.38 -24.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 42.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 tp -113.4 -37.7 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.624 HG21 HD13 ' A' ' 104' ' ' LEU . 7.3 p -92.44 21.05 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -66.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -52.04 139.05 23.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -64.3 -27.36 68.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' N ' ' HG2' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -70.25 -34.53 72.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -67.98 -49.3 62.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' THR . 12.2 mt-30 -55.19 -41.7 72.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.0 mt -66.68 -54.77 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 66' ' ' ILE . 3.8 tp10 -60.01 -27.27 66.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.841 HG21 HD11 ' A' ' 110' ' ' LEU . 17.0 mt -73.04 -47.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -46.98 -57.91 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -49.09 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 62' ' ' GLU . 2.9 mt -45.37 -44.39 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 71' ' ' ILE . . . -59.34 -48.8 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.775 HG22 HD11 ' A' ' 119' ' ' ILE . 17.9 t -63.64 -30.24 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -66.23 -35.26 79.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.83 -27.33 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.588 ' CG1' ' CE1' ' A' ' 123' ' ' TYR . 0.6 OUTLIER -76.45 -49.66 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -46.04 -31.33 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.5 m -77.13 -37.21 54.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 126' ' ' ILE . 6.4 mt -59.16 -16.57 20.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.1 m -83.0 49.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.75 -73.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.542 HG13 ' CD1' ' A' ' 87' ' ' PHE . 2.4 t 40.09 73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.34 -99.67 2.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.76 -66.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.3 112.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 62.32 116.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -172.81 77.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLN . 19.4 m-85 34.01 91.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' PHE . 16.3 mmt -55.79 -36.0 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -49.12 -41.52 36.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.63 -24.65 61.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.542 ' CD1' HG13 ' A' ' 77' ' ' VAL . 18.9 t80 -89.95 52.03 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' CE1' ' NH2' ' A' ' 24' ' ' ARG . 91.4 m-85 -157.88 -40.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.588 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 30.8 t -46.7 -54.27 9.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.2 p -72.63 -53.97 10.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.51 ' CG ' ' CG ' ' A' ' 94' ' ' PRO . 2.2 t-20 -83.34 89.6 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.913 ' O ' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -88.84 -48.24 7.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.686 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 1.3 mt-10 -38.98 -51.48 4.02 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.686 ' HD3' ' HB2' ' A' ' 93' ' ' GLU . 18.4 Cg_endo -75.0 -48.3 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.79 -43.54 38.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.913 HD12 ' O ' ' A' ' 92' ' ' SER . 1.5 mp -59.76 -56.48 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.545 HD12 HG22 ' A' ' 96' ' ' ILE . 1.3 mp -60.41 -64.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' PRO . 79.0 t80 -41.46 -42.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.32 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.786 HG22 HD12 ' A' ' 50' ' ' ILE . 2.2 t -48.18 -41.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.751 HD12 HG23 ' A' ' 63' ' ' ILE . 17.8 mm -56.63 -52.52 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CZ ' ' CE1' ' A' ' 106' ' ' HIS . 88.9 t80 -61.36 -58.49 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.678 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -38.98 -51.04 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 54' ' ' THR . 7.5 mt -61.89 -69.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.633 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 3.8 m-85 -39.48 -57.63 1.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.726 ' CD2' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -50.86 -59.72 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 40' ' ' VAL . 3.2 m-85 -55.55 -61.77 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.49 66.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -134.66 -53.71 0.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -59.74 132.05 52.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -108.79 124.5 50.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -137.13 110.77 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 89.89 4.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.53 -58.97 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -137.38 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -177.66 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.515 ' O ' ' C ' ' A' ' 118' ' ' ILE . 0.9 OUTLIER -120.16 -56.6 1.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.567 HG23 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER 30.56 -98.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.775 HD11 HG22 ' A' ' 68' ' ' VAL . 6.3 mm -58.34 -64.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' GLN . 0.2 OUTLIER -40.16 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 117' ' ' GLN . 35.8 tptt -72.68 -65.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.761 ' O ' HG22 ' A' ' 125' ' ' THR . . . -50.93 -64.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.653 ' CD1' HG22 ' A' ' 119' ' ' ILE . 4.9 m-85 -38.68 -49.46 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -69.86 -36.0 75.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -51.84 -27.52 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.836 HD12 HD13 ' A' ' 74' ' ' LEU . 7.8 mt -91.88 -60.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 28' ' ' ILE . . . -38.18 -31.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 131' ' ' ALA . 3.5 t0 -87.74 -63.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 23.2 m-20 -44.9 -48.28 11.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.05 HD11 ' HB2' ' A' ' 85' ' ' ALA . 1.3 tt -54.79 -37.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 134' ' ' LEU . . . -71.95 -5.35 34.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 3.5 t70 -82.82 -28.37 30.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -92.85 -35.42 13.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 131' ' ' ALA . 41.3 mt -53.31 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -178.66 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.48 28.85 3.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.413 ' HA ' ' SG ' ' A' ' 29' ' ' CYS . 13.1 p30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.456 0.17 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -79.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.46 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 3.2 tt0 173.96 123.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 2.7 m-20 159.27 173.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -102.46 -62.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' LYS . 45.6 mm -67.36 -75.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.591 ' HE3' HD13 ' A' ' 97' ' ' ILE . 1.9 tptt -38.58 -48.88 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 4' ' ' ASN . 24.6 tt0 -52.7 -55.98 18.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -52.57 -48.63 66.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.859 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 25.3 mt -46.55 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.794 HG13 HG21 ' A' ' 96' ' ' ILE . 1.2 mp -27.27 -57.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -33.09 -56.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.034 ' O ' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -56.53 -146.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 2.6 t80 19.11 -63.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 1.034 ' N ' ' O ' ' A' ' 13' ' ' PHE . 10.4 t30 -46.96 -37.46 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 12' ' ' SER . 5.7 mm-40 -74.16 -30.31 62.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 43' ' ' PRO . . . -66.04 -71.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.2 p -58.29 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 108.313 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.71 -87.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.0 p -55.67 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -89.27 -49.07 6.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.585 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -49.35 -23.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.81 -40.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 88' ' ' PHE . 1.3 mpp_? -57.66 -62.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.618 HD11 ' HB1' ' A' ' 85' ' ' ALA . 7.9 mt -54.34 -20.75 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -30.11 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.968 ' CE1' HG11 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -69.31 -68.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' CG2' ' A' ' 130' ' ' ILE . 3.4 pt -35.19 -35.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' PHE . 15.5 t -84.99 -60.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -44.94 -45.17 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.656 HG23 ' HE1' ' A' ' 107' ' ' PHE . 23.4 m -51.77 -34.27 38.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -93.44 10.39 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -143.07 56.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 m -170.28 90.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.976 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -24.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -115.62 -167.37 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.792 ' CD1' ' CE2' ' A' ' 107' ' ' PHE . 9.1 m-85 -113.77 -20.46 11.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -2.53 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -91.44 -40.34 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.968 HG11 ' CE1' ' A' ' 27' ' ' PHE . 58.0 t -51.29 146.32 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -71.86 70.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG22 ' HD2' ' A' ' 43' ' ' PRO . 3.3 p -175.12 141.53 0.67 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' HG22 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.95 150.67 38.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 18.3 mt -81.87 -41.15 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' CB ' ' HD3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -35.0 -57.59 0.79 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 45' ' ' GLU . 18.2 Cg_endo -75.02 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 50' ' ' ILE . 15.3 mm -44.65 -55.66 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 7.4 mttp -46.58 -26.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' PRO . 4.9 t-20 -75.4 -40.5 57.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.776 HD13 HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -76.64 -2.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' LYS . 9.7 mt -93.72 -25.05 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.4 29.31 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG23 ' CG2' ' A' ' 54' ' ' THR . 1.0 OUTLIER -99.58 -34.14 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.423 HG22 HD13 ' A' ' 63' ' ' ILE . 4.3 p -97.5 22.81 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 56' ' ' ASP . 14.6 pttt -62.71 -55.5 26.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 78.2 m-20 -66.59 158.84 28.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 61' ' ' ILE . 5.1 pm0 -83.89 -26.35 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -72.31 -13.4 61.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -53.02 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -52.82 -36.96 59.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 57' ' ' GLU . 10.9 mt -64.64 -65.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 12.8 mt-10 -56.82 -25.41 55.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.751 HG21 HD21 ' A' ' 110' ' ' LEU . 9.3 mt -71.54 -48.69 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -59.4 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.11 92.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 9.2 mt -57.15 -39.88 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 101' ' ' ILE . . . -61.25 -43.56 98.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 71' ' ' ILE . 54.9 t -62.75 -32.53 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -50.68 -22.51 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.237 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.2 m-80 -97.36 -39.75 9.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 72' ' ' LYS . 1.0 OUTLIER -63.14 -51.93 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -53.77 -40.81 66.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 m -74.43 -33.07 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 77' ' ' VAL . 4.0 mt -61.97 -14.21 32.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -89.84 37.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 t -169.23 32.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.743 HG21 HD23 ' A' ' 74' ' ' LEU . 46.2 t -90.46 123.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.65 17.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.3 -63.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.2 p -102.39 67.05 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.43 -118.23 5.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.77 87.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.75 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 133' ' ' TYR . 53.8 m-85 -61.83 138.54 58.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 74' ' ' LEU . 1.2 ttt -51.99 -20.47 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 130' ' ' ILE . . . -64.68 -44.5 90.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -43.49 95.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 91' ' ' ASN . 4.5 t80 -71.07 -16.82 62.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -61.99 -29.62 70.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.4 t -73.93 -56.41 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 p -67.25 -34.54 77.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.449 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 3.0 m120 -125.08 70.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.491 ' O ' HD12 ' A' ' 96' ' ' ILE . 79.1 p -82.93 -31.35 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -46.54 -57.91 7.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 93' ' ' GLU . 18.1 Cg_endo -75.03 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.593 ' O ' ' CZ ' ' A' ' 88' ' ' PHE . . . -58.7 -18.43 31.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.794 HG21 HG13 ' A' ' 11' ' ' ILE . 6.3 mt -81.67 -66.26 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.591 HD13 ' HE3' ' A' ' 7' ' ' LYS . 1.5 mp -46.17 -46.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.781 ' CD2' ' CE2' ' A' ' 123' ' ' TYR . 3.3 t80 -58.7 -49.82 76.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 98' ' ' PHE . 11.4 t -41.62 -43.24 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.948 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 1.3 t -73.84 -53.2 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.66 HD12 HG23 ' A' ' 63' ' ' ILE . 8.8 mm -45.37 -38.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 28' ' ' ILE . 42.1 t80 -68.58 -70.09 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.61 ' CE2' ' CE2' ' A' ' 107' ' ' PHE . 2.9 t80 -35.96 -44.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' GLY . 51.4 mt -58.56 -67.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 110' ' ' LEU . 7.8 m-85 -44.96 -58.63 3.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.56 ' ND1' HG22 ' A' ' 31' ' ' THR . 37.6 t-80 -45.78 -51.03 13.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.659 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 37' ' ' PHE . 4.3 m-85 -69.28 -22.67 63.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 105' ' ' TYR . . . 87.3 68.46 1.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -124.29 -53.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.751 HD21 HG21 ' A' ' 63' ' ' ILE . 1.7 mt -61.31 153.48 26.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -85.19 110.45 19.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -124.24 116.13 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.02 139.35 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.27 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -72.53 117.65 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.83 -165.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -59.02 -168.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' HB2' ' CD ' ' A' ' 121' ' ' LYS . 2.6 pt20 -47.4 137.02 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 119' ' ' ILE . 0.9 OUTLIER -137.57 -168.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.437 ' N ' HG23 ' A' ' 118' ' ' ILE . 10.8 mm -42.31 -66.65 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.477 ' CG ' ' N ' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -40.49 -50.12 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -53.03 -52.79 57.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 125' ' ' THR . . . -63.33 -64.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.781 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 4.1 m-85 -44.69 -30.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -79.71 -36.5 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -60.38 -24.84 65.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.717 HD12 HD13 ' A' ' 74' ' ' LEU . 5.2 mt -95.38 -58.32 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 102' ' ' TYR . . . -43.68 -27.69 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.504 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 33.9 t70 -89.72 -58.3 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 132' ' ' ASP . 31.0 t30 -49.33 -45.76 45.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 85' ' ' ALA . 4.5 tt -56.16 -25.53 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 128' ' ' ASP . . . -82.54 6.01 18.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 19.2 t0 -74.81 -35.74 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 1.1 p90 -103.83 7.82 37.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 134' ' ' LEU . 3.6 mt -64.29 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -146.11 -55.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -171.15 43.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 0 0 . 1 stop_ save_